SInCRe - Rv3247c

Tuberculist information

Gene name	tmk
Protein function	Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK)
Functional category(tuberculist)	intermediary metabolism and respiration
Gene location(kb)	3627.42
Molecular mass(da)	22602.5
External sites	TB Database TubercuList WebTB

Protein sequence

Number of amino acids : 214

	  		  	1    VLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLA   60
			  	61   SSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWV  120
			  	121  QRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYA  180
			  	181  ELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS

Known structures in the PDB

	PDB ID	1G3U
	Total residue count	214
	Number of chains	1
	Method	X-RAY
	Resolution	1.95

	PDB ID	1GSI
	Total residue count	214
	Number of chains	1
	Method	X-RAY
	Resolution	1.6

	PDB ID	1GTV
	Total residue count	428
	Number of chains	2
	Method	X-RAY
	Resolution	1.55

	PDB ID	1MRN
	Total residue count	214
	Number of chains	1
	Method	X-RAY
	Resolution	2.45

	PDB ID	1MRS
	Total residue count	214
	Number of chains	1
	Method	X-RAY
	Resolution	2

	PDB ID	1N5I
	Total residue count	214
	Number of chains	1
	Method	X-RAY
	Resolution	1.85

	PDB ID	1N5J
	Total residue count	214
	Number of chains	1
	Method	X-RAY
	Resolution	1.85

	PDB ID	1N5K
	Total residue count	428
	Number of chains	2
	Method	X-RAY
	Resolution	2.1

	PDB ID	1N5L
	Total residue count	428
	Number of chains	2
	Method	X-RAY
	Resolution	2.3

	PDB ID	1W2G
	Total residue count	428
	Number of chains	2
	Method	X-RAY
	Resolution	2.1

	PDB ID	1W2H
	Total residue count	428
	Number of chains	2
	Method	X-RAY
	Resolution	2

Number of amino acids : 214

Domains assigned based on sequence.

Mtb Structural proteome models

CHOPIN models

Profile-based domain assignment

Structural/Functional domain family	Pfam acc.no./SCOP ID	Domain Region
Thymidylate_kin	PF02223	5-199

Mtb Structural Proteome models

Model Number	1
Model name	Rv3247c_1gtv_A
Template	1GTV APDB CREDO
Template coverage	1_208
Template Identity(%)	100.0
Model coverage(%)	96.3
Normalized DOPE score	-1.637

Model Number	2
Model name	Rv3247c
Template	1GTV APDB CREDO
Template coverage	1_208
Template Identity(%)	100.0
Model coverage(%)	96.3
Normalized DOPE score	-1.37

Structure Models from Chopin

Model Number	1
Profile	3.40.1190.10 Click for model details
zscore	12.13
Residue begin	1
Residue end	214

Binding pockets

STRING

Cytoscape Web will replace the contents of this div with protein-protein interaction network.

Protein interacting with Rv3247c	Gene name	Confidence Score
Rv2764c	thyA	0.992
Rv2754c	thyX	0.987
Rv2445c	ndkA	0.986
Rv1389	gmk	0.942
Rv2697c	dut	0.936
Rv0570	nrdZ	0.93
Rv0570	nrdZ	0.93
Rv0570	nrdZ	0.93

Potential ligand/drug binding sites

Protein Model	Pocket Number	Drug Binding Site	PMIN Score	Pvalue PMIN	PMAX Score	Pvalue PMAX
Rv3247c_1gtv_A	7	1hwi_115_D_3 PDB CREDO	0.549	0.245	0.515	0.009
Rv3247c_1gtv_A	7	1hwi_115_B_1 PDB CREDO	0.545	0.251	0.511	0.009
Rv3247c_1gtv_A	7	1hwi_115_A_2 PDB CREDO	0.518	0.291	0.501	0.011

Similarity to known drug target from sensitive sequence analysis

No drug targets

List of small molecules tested from TIBLE

View results in TIBLE page

Name	Affinity	Assay description	DOI
CHEMBL102425	Ki = 7 uM	Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis	http://www.ncbi.nlm.nih.gov/pubmed/12941330
CHEMBL102454	Ki = 5 uM	Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis	http://www.ncbi.nlm.nih.gov/pubmed/12941330
CHEMBL102479	Ki = 490 uM	Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis	http://www.ncbi.nlm.nih.gov/pubmed/12941330
CHEMBL102768	Ki = 1900 uM	Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis	http://www.ncbi.nlm.nih.gov/pubmed/12941330
CHEMBL103283	Ki = 238 uM	Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis	http://www.ncbi.nlm.nih.gov/pubmed/12941330
CHEMBL103356	Ki = 230 uM	Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis	http://www.ncbi.nlm.nih.gov/pubmed/12941330
CHEMBL105318	Ki = 28 uM	Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis	http://www.ncbi.nlm.nih.gov/pubmed/12941330
CHEMBL105524	Ki = 122 uM	Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis	http://www.ncbi.nlm.nih.gov/pubmed/12941330
CHEMBL1089867	Ki = 2.1 uM	Competitive inhibition of Mycobacterium tuberculosis TMPK by Lineweaver-Burk analysis	http://www.ncbi.nlm.nih.gov/pubmed/22061826
CHEMBL1090132	Ki = 4.2 uM	Competitive inhibition of Mycobacterium tuberculosis TMPK by Lineweaver-Burk analysis	http://www.ncbi.nlm.nih.gov/pubmed/22061826
CHEMBL1090133	Ki = 2.7 uM	Competitive inhibition of Mycobacterium tuberculosis TMPK by Lineweaver-Burk analysis	http://www.ncbi.nlm.nih.gov/pubmed/22061826
CHEMBL1091873	Ki = 9.9 uM	Competitive inhibition of Mycobacterium tuberculosis TMPK by Lineweaver-Burk analysis	http://www.ncbi.nlm.nih.gov/pubmed/22061826
CHEMBL1129	Ki = 97 uM	Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis	http://www.ncbi.nlm.nih.gov/pubmed/12941330
CHEMBL1130	Ki = 560 uM	Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis	http://www.ncbi.nlm.nih.gov/pubmed/12941330
CHEMBL1160592	Ki = 120 uM	Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis	http://www.ncbi.nlm.nih.gov/pubmed/12941330
CHEMBL1160596	Ki = 45 uM	Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis	http://www.ncbi.nlm.nih.gov/pubmed/12941330
CHEMBL1160596	Ki = 27 uM	In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm)	http://www.ncbi.nlm.nih.gov/pubmed/12930144
CHEMBL1160597	Ki = 235 uM	Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis	http://www.ncbi.nlm.nih.gov/pubmed/12941330
CHEMBL1160597	Ki = 235 uM	In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm)	http://www.ncbi.nlm.nih.gov/pubmed/12930144
CHEMBL1160603	Ki = 43 uM	Inhibition of Mycobacterium tuberculosis TMPK by coupled spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/15566289
CHEMBL1160603	Ki = 43 uM	Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis	http://www.ncbi.nlm.nih.gov/pubmed/12941330
CHEMBL1160604	Ki = 19 uM	Inhibition of Mycobacterium tuberculosis TMPK by coupled spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/15566289
CHEMBL1160604	Ki = 19 uM	Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis	http://www.ncbi.nlm.nih.gov/pubmed/12941330
CHEMBL1160806	Ki = 270 uM	Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis	http://www.ncbi.nlm.nih.gov/pubmed/12941330
CHEMBL1160814	Ki = 28 uM	Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis	http://www.ncbi.nlm.nih.gov/pubmed/12941330
CHEMBL1160816	Ki = 140 uM	Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis	http://www.ncbi.nlm.nih.gov/pubmed/12941330
CHEMBL1160817	Ki = 150 uM	Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis	http://www.ncbi.nlm.nih.gov/pubmed/12941330
CHEMBL1160818	Ki = 110 uM	Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis	http://www.ncbi.nlm.nih.gov/pubmed/12941330
CHEMBL1160993	Ki = 15 uM	In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm)	http://www.ncbi.nlm.nih.gov/pubmed/12930144
CHEMBL1160994	Ki = 12 uM	In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm)	http://www.ncbi.nlm.nih.gov/pubmed/12930144
CHEMBL1161001	Ki = 315 uM	In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm)	http://www.ncbi.nlm.nih.gov/pubmed/12930144
CHEMBL1161002	Ki = 116 uM	In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm)	http://www.ncbi.nlm.nih.gov/pubmed/12930144
CHEMBL1161003	Ki = 29 uM	In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm)	http://www.ncbi.nlm.nih.gov/pubmed/12930144
CHEMBL1161004	Ki = 10.5 uM	In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm)	http://www.ncbi.nlm.nih.gov/pubmed/12930144
CHEMBL123912	Ki = 770 uM	In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm)	http://www.ncbi.nlm.nih.gov/pubmed/12930144
CHEMBL124260	Ki = 41 uM	In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm)	http://www.ncbi.nlm.nih.gov/pubmed/12930144
CHEMBL124682	Ki = 393 uM	In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm)	http://www.ncbi.nlm.nih.gov/pubmed/12930144
CHEMBL124814	Ki = 156 uM	In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm)	http://www.ncbi.nlm.nih.gov/pubmed/12930144
CHEMBL1253612	Ki = 6 uM	Competitive inhibition of Mycobacterium tuberculosis TMPK by Lineweaver-Burk analysis	http://www.ncbi.nlm.nih.gov/pubmed/22061826
CHEMBL127523	Ki = 45 uM	In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm)	http://www.ncbi.nlm.nih.gov/pubmed/12930144
CHEMBL129	Ki = 28 uM	Competitive inhibition of Mycobacterium tuberculosis TMPK by Lineweaver-Burk analysis	http://www.ncbi.nlm.nih.gov/pubmed/22061826
CHEMBL129	Ki = 28 uM	Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis	http://www.ncbi.nlm.nih.gov/pubmed/12941330
CHEMBL129	Ki = 28 uM	In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm)	http://www.ncbi.nlm.nih.gov/pubmed/12930144
CHEMBL1631394	Ki = 7.07 uM	Inhibition of Mycobacterium tuberculosis Thymidine monophosphate kinase by spectrophotometry	http://www.ncbi.nlm.nih.gov/pubmed/20951473
CHEMBL1631395	Ki = 0.93 uM	Inhibition of Mycobacterium tuberculosis Thymidine monophosphate kinase by spectrophotometry	http://www.ncbi.nlm.nih.gov/pubmed/20951473
CHEMBL1631396	Ki = 5.8 uM	Inhibition of Mycobacterium tuberculosis Thymidine monophosphate kinase by spectrophotometry	http://www.ncbi.nlm.nih.gov/pubmed/20951473
CHEMBL1631397	Ki = 2.46 uM	Inhibition of Mycobacterium tuberculosis Thymidine monophosphate kinase by spectrophotometry	http://www.ncbi.nlm.nih.gov/pubmed/20951473
CHEMBL1631398	Ki = 0.57 uM	Inhibition of Mycobacterium tuberculosis Thymidine monophosphate kinase by spectrophotometry	http://www.ncbi.nlm.nih.gov/pubmed/20951473
CHEMBL1631399	Ki = 0.3 uM	Inhibition of Mycobacterium tuberculosis Thymidine monophosphate kinase by spectrophotometry	http://www.ncbi.nlm.nih.gov/pubmed/20951473
CHEMBL1632625	Ki = 0.42 uM	Inhibition of Mycobacterium tuberculosis Thymidine monophosphate kinase by spectrophotometry	http://www.ncbi.nlm.nih.gov/pubmed/20951473
CHEMBL1632626	Ki = 0.27 uM	Inhibition of Mycobacterium tuberculosis Thymidine monophosphate kinase by spectrophotometry	http://www.ncbi.nlm.nih.gov/pubmed/20951473
CHEMBL1632627	Ki = 1.16 uM	Inhibition of Mycobacterium tuberculosis Thymidine monophosphate kinase by spectrophotometry	http://www.ncbi.nlm.nih.gov/pubmed/20951473
CHEMBL1790742	Ki >= 100 uM	Competitive inhibition of Mycobacterium tuberculosis TMPK by Lineweaver-Burk analysis	http://www.ncbi.nlm.nih.gov/pubmed/22061826
CHEMBL1823506	Ki = 18 uM	Inhibition of Mycobacterium tuberculosis Thymidylate kinase	http://www.ncbi.nlm.nih.gov/pubmed/21664010
CHEMBL189057	Ki = 38 uM	Inhibition of Mycobacterium tuberculosis recombinant TMPK	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL189636	Ki = 55 uM	Inhibition of Mycobacterium tuberculosis recombinant TMPK	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL189878	Ki = 10 uM	Inhibition of Mycobacterium tuberculosis recombinant TMPK	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL190125	Ki = 47 uM	Inhibition of Mycobacterium tuberculosis recombinant TMPK	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL1926703	Ki = 201 uM	Competitive inhibition of Mycobacterium tuberculosis TMPK by Lineweaver-Burk analysis	http://www.ncbi.nlm.nih.gov/pubmed/22061826
CHEMBL1928428	Ki = 2.8 uM	Competitive inhibition of Mycobacterium tuberculosis TMPK by Lineweaver-Burk analysis	http://www.ncbi.nlm.nih.gov/pubmed/22061826
CHEMBL1928429	Ki = 15 uM	Competitive inhibition of Mycobacterium tuberculosis TMPK by Lineweaver-Burk analysis	http://www.ncbi.nlm.nih.gov/pubmed/22061826
CHEMBL1928430	Ki = 45 uM	Competitive inhibition of Mycobacterium tuberculosis TMPK by Lineweaver-Burk analysis	http://www.ncbi.nlm.nih.gov/pubmed/22061826
CHEMBL1928431	Ki = 2.3 uM	Competitive inhibition of Mycobacterium tuberculosis TMPK by Lineweaver-Burk analysis	http://www.ncbi.nlm.nih.gov/pubmed/22061826
CHEMBL1928432	Ki = 14.5 uM	Competitive inhibition of Mycobacterium tuberculosis TMPK by Lineweaver-Burk analysis	http://www.ncbi.nlm.nih.gov/pubmed/22061826
CHEMBL1928433	Ki = 73 uM	Competitive inhibition of Mycobacterium tuberculosis TMPK by Lineweaver-Burk analysis	http://www.ncbi.nlm.nih.gov/pubmed/22061826
CHEMBL1928434	Not Active	Competitive inhibition of Mycobacterium tuberculosis TMPK at 0.05 mM by Lineweaver-Burk analysis	http://www.ncbi.nlm.nih.gov/pubmed/22061826
CHEMBL1928435	Ki = 0.17 uM	Competitive inhibition of Mycobacterium tuberculosis TMPK by Lineweaver-Burk analysis	http://www.ncbi.nlm.nih.gov/pubmed/22061826
CHEMBL1928436	Ki = 9 uM	Competitive inhibition of Mycobacterium tuberculosis TMPK by Lineweaver-Burk analysis	http://www.ncbi.nlm.nih.gov/pubmed/22061826
CHEMBL1928437	Ki = 35 uM	Competitive inhibition of Mycobacterium tuberculosis TMPK by Lineweaver-Burk analysis	http://www.ncbi.nlm.nih.gov/pubmed/22061826
CHEMBL193779	Ki = 13 uM	Inhibition of Mycobacterium tuberculosis recombinant TMPK	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL221894	Ki = 29 uM	Inhibition of Mycobacterium tuberculosis TMPK by coupled spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/15566289
CHEMBL222185	Ki = 40 uM	Inhibition of Mycobacterium tuberculosis TMPK by coupled spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/15566289
CHEMBL222242	Ki = 390 uM	Inhibition of Mycobacterium tuberculosis TMPK by coupled spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/15566289
CHEMBL222280	Ki = 5 uM	Inhibition of Mycobacterium tuberculosis recombinant TMPK	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL222483	Ki = 13.5 uM	Inhibition of Mycobacterium tuberculosis TMPK by coupled spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/15566289
CHEMBL222970	Ki = 80 uM	Inhibition of Mycobacterium tuberculosis TMPK by coupled spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/15566289
CHEMBL223135	Ki = 180 uM	Inhibition of Mycobacterium tuberculosis TMPK by coupled spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/15566289
CHEMBL223779	Ki = 37 uM	Inhibition of Mycobacterium tuberculosis TMPK by coupled spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/15566289
CHEMBL223811	Ki = 165 uM	Inhibition of Mycobacterium tuberculosis TMPK by coupled spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/15566289
CHEMBL235056	Ki = 3.8 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL235088	Ki = 1 uM	Inhibition of Mycobacterium tuberculosis thymidylate kinase	http://www.ncbi.nlm.nih.gov/pubmed/22243413
CHEMBL235088	Ki = 1 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL235090	Ki = 19.2 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL235091	Ki = 15 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL235093	Ki = 35 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL235304	Ki = 260 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL235305	Ki = 26.5 uM	Competitive inhibition of Mycobacterium tuberculosis TMPK by Lineweaver-Burk analysis	http://www.ncbi.nlm.nih.gov/pubmed/22061826
CHEMBL235305	Ki = 26.5 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL235478	Ki = 21 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL235685	Ki = 46 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL235686	Ki = 7.2 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL235687	Ki = 12 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL235695	Ki = 7.2 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL236115	Ki = 5.4 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL236973	Ki = 2.3 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL237381	Ki = 1.1 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL237839	Ki = 37 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL257695	Ki = 10 uM	In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm)	http://www.ncbi.nlm.nih.gov/pubmed/12930144
CHEMBL257695	Ki = 10 uM	Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis	http://www.ncbi.nlm.nih.gov/pubmed/12941330
CHEMBL257695	Ki = 10 uM	Competitive inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli NM554 by coupled spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/22061826
CHEMBL318153	Ki = 1140 uM	Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis	http://www.ncbi.nlm.nih.gov/pubmed/12941330
CHEMBL319447	Ki = 12 uM	Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis	http://www.ncbi.nlm.nih.gov/pubmed/12941330
CHEMBL320200	Ki = 140 uM	Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis	http://www.ncbi.nlm.nih.gov/pubmed/12941330
CHEMBL322925	Ki = 90 uM	Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis	http://www.ncbi.nlm.nih.gov/pubmed/12941330
CHEMBL340604	Ki = 40 uM	In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm)	http://www.ncbi.nlm.nih.gov/pubmed/12930144
CHEMBL341264	Ki = 57 uM	In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm)	http://www.ncbi.nlm.nih.gov/pubmed/12930144
CHEMBL341264	Ki = 57 uM	Inhibition of Mycobacterium tuberculosis TMPK by coupled spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/15566289
CHEMBL363794	Not Active	Inhibition of Mycobacterium tuberculosis recombinant TMPK upto 2 mM	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL364887	Ki = 89 uM	Inhibition of Mycobacterium tuberculosis recombinant TMPK	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL375569	Ki = 3.5 uM	Inhibition of Mycobacterium tuberculosis TMPK by coupled spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/15566289
CHEMBL391451	Ki = 1.9 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL392133	Ki = 69 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL392137	Ki = 0.6 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL392734	Ki = 10 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL392953	Ki = 2.6 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL393394	Ki = 3.8 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL393475	Ki = 16 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL393791	Ki = 7.8 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL393853	Vmax = 0.77 U/mg	Activity of Mycobacterium tuberculosis TMPK	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL393853	Ki = 15 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL393853	Km = 450 uM	Activity of Mycobacterium tuberculosis TMPK	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL393930	Ki = 36 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL393932	Ki = 2.2 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL394429	Km = 4.5 uM	In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm)	http://www.ncbi.nlm.nih.gov/pubmed/12930144
CHEMBL394429	Km = 4.5 uM	Inhibition of Mycobacterium tuberculosis TMPK by coupled spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/15566289
CHEMBL394429	Km = 4.5 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL394429	Ki = 4.5 uM	Inhibition of Mycobacterium tuberculosis Thymidine monophosphate kinase by spectrophotometry	http://www.ncbi.nlm.nih.gov/pubmed/20951473
CHEMBL396133	Ki = 5.4 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL398111	Ki = 37 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL400409	Ki = 4.9 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL401427	Ki = 18 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL414848	Ki = 195 uM	Inhibition of Mycobacterium tuberculosis recombinant TMPK	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL428720	Ki = 16 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL429626	Ki = 26 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL430363	Ki = 5 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL434370	Not Active	Inhibition of Mycobacterium tuberculosis TMPK at 1 mM by coupled spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/15566289
CHEMBL442081	Ki = 3.2 uM	Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/17910427
CHEMBL447323	Not Active	Inhibition of Mycobacterium tuberculosis recombinant TMPK upto 2 mM	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL448393	Ki = 59 uM	Inhibition of Mycobacterium tuberculosis recombinant TMPK	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL449001	Ki = 26.5 uM	Inhibition of Mycobacterium tuberculosis recombinant TMPK	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL449771	Ki = 34 uM	Inhibition of Mycobacterium tuberculosis recombinant TMPK	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL454546	Ki = 51 uM	Inhibition of Mycobacterium tuberculosis recombinant TMPK	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL482508	Ki = 39 uM	Inhibition of Mycobacterium tuberculosis recombinant TMPK	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL482509	Ki = 39 uM	Inhibition of Mycobacterium tuberculosis recombinant TMPK	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL482510	Ki = 58 uM	Inhibition of Mycobacterium tuberculosis recombinant TMPK	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL482519	Ki = 35 uM	Inhibition of Mycobacterium tuberculosis recombinant TMPK	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL482520	Ki = 96 uM	Inhibition of Mycobacterium tuberculosis recombinant TMPK	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL482916	Ki = 38 uM	Inhibition of Mycobacterium tuberculosis recombinant TMPK	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL483334	Ki = 39 uM	Inhibition of Mycobacterium tuberculosis recombinant TMPK	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL483919	Ki = 16 uM	Inhibition of Mycobacterium tuberculosis recombinant TMPK	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL484323	Not Active	Inhibition of Mycobacterium tuberculosis recombinant TMPK upto 0.2 mM	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL484514	Ki = 23 uM	Inhibition of Mycobacterium tuberculosis recombinant TMPK	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL484515	Ki = 26 uM	Inhibition of Mycobacterium tuberculosis recombinant TMPK	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL484516	Not Active	Inhibition of Mycobacterium tuberculosis recombinant TMPK upto 0.2 mM	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL484722	Not Active	Inhibition of Mycobacterium tuberculosis recombinant TMPK upto 0.2 mM	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL485122	Ki = 112 uM	Inhibition of Mycobacterium tuberculosis recombinant TMPK	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL485322	Ki = 70 uM	Inhibition of Mycobacterium tuberculosis recombinant TMPK	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL503907	Ki = 202 uM	Inhibition of Mycobacterium tuberculosis recombinant TMPK	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL505732	Ki = 10 uM	Inhibition of Mycobacterium tuberculosis recombinant TMPK	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL519186	Ki = 19.5 uM	Inhibition of Mycobacterium tuberculosis recombinant TMPK	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL520146	Ki = 75 uM	Inhibition of Mycobacterium tuberculosis recombinant TMPK	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL520293	Ki = 6.5 uM	Inhibition of Mycobacterium tuberculosis recombinant TMPK	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL520450	Ki = 55 uM	Inhibition of Mycobacterium tuberculosis recombinant TMPK	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL525627	Not Active	Inhibition of Mycobacterium tuberculosis recombinant TMPK upto 0.2 mM	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL52609	Ki = 27 uM	Inhibition of Mycobacterium tuberculosis recombinant TMPK	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL52609	Ki = 27 uM	In Vitro inhibition of Thymidine Monophosphatase Kinase of Mycobacterium tuberculosis (TMPKm)	http://www.ncbi.nlm.nih.gov/pubmed/12930144
CHEMBL52609	Ki = 27 uM	Inhibition of Mycobacterium tuberculosis TMPK by coupled spectrophotometric assay	http://www.ncbi.nlm.nih.gov/pubmed/15566289
CHEMBL52609	Ki = 715 uM	Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis	http://www.ncbi.nlm.nih.gov/pubmed/12941330
CHEMBL52609	Ki = 27 uM	Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis	http://www.ncbi.nlm.nih.gov/pubmed/12941330
CHEMBL526527	Ki = 52 uM	Inhibition of Mycobacterium tuberculosis recombinant TMPK	http://www.ncbi.nlm.nih.gov/pubmed/18467107
CHEMBL54918	Ki = 521 uM	Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis	http://www.ncbi.nlm.nih.gov/pubmed/12941330

Off-target activity - ligand based from TIBLE

View results in TIBLE page

Predicted off-target	Method	Summary	Full results
3-phosphoinositide-dependent protein kinase 1 2PE1	PharmMapper	3 hydroph + 4 HB + 0 pos/neg + 0 arom	Link
Aldose reductase 2DUX	PharmMapper	4 hydroph + 5 HB + 1 pos/neg + 2 arom	Link
GTPase HRas 1P2S	PharmMapper	0 hydroph + 14 HB + 1 pos/neg + 0 arom	Link
Deoxyuridine 5-triphosphate nucleotidohydrolase; mitochondrial 1Q5H	PharmMapper	1 hydroph + 8 HB + 1 pos/neg + 0 arom	Link
GTPase HRas 5P21	PharmMapper	0 hydroph + 13 HB + 2 pos/neg + 0 arom	Link
UDP-N-acetylglucosamine transporter; Golgi UDP-GlcNAc transporter [-]	SEA	E_value = 2.57e-148 & MaxTC = 0.84	Link
deoxyuridine 5-triphosphate nucleotidohydrolase; mitochondrial; dUTP pyrophosphatase [-]	SEA	E_value = 2.1e-84 & MaxTC = 0.71	Link
thymidine kinase 2; mitochondrial [-]	SEA	E_value = 1.4e-66 & MaxTC = 0.66	Link
DNA polymerase beta	SEA	E_value = 8.48e-60 & MaxTC = 0.74	Link
IL-8 Inhibitor	SEA	E_value = 2.15e-52 & MaxTC = 0.72	Link
Thymidylate synthase	SEA	E_value = 1.09e-49 & MaxTC = 0.84	Link
Cytidine deaminase	SEA	E_value = 2.42e-36 & MaxTC = 0.53	Link
human simplex virus 1 thymidine kinase	SEA	E_value = 2.19e-29 & MaxTC = 0.43	Link
DNA polymerase gamma catalytic subunit [-]	SEA	E_value = 2.07e-27 & MaxTC = 0.76	Link
DNA polymerase beta [-]	SEA	E_value = 2.07e-27 & MaxTC = 0.76	Link
Thymidylate Synthetase Inhibitor	SEA	E_value = 7.62e-26 & MaxTC = 0.69	Link
DNA-directed DNA polymerase [-]	SEA	E_value = 8.9e-19 & MaxTC = 0.51	Link
DNA beta-glucosyltransferase [-]	SEA	E_value = 1.12e-18 & MaxTC = 0.46	Link
P2Y purinoceptor 6; ATP receptor [+]	SEA	E_value = 1.09e-17 & MaxTC = 0.53	Link
Thymidylate synthase	SEA	E_value = 4.58e-17 & MaxTC = 0.73	Link
thymidylate synthase [-]	SEA	E_value = 3.54e-11 & MaxTC = 0.84	Link

Small molecules involved in protein-protein complex from TIMBAL .Proteins similar to Mtb based on sequence analysis.

Data not available

STITCH interactions

Chemical Name	Confidence score	Molecular Weight
thymidylatePubChem	0.998	322.208
thymidine diphosphatePubChem	0.994	402.188
thymidinePubChem	0.994	242.229
thymidine triphosphatePubChem	0.989	482.168
AZTMPPubChem	0.988	347.221
T5APubChem	0.983	891.354
acetatePubChem	0.979	59.044
pyrophosphatePubChem	0.979	177.975
hydron sulfatePubChem	0.936	196.157
sulfatePubChem	0.936	96.0626
magnesiumPubChem	0.931	24.305
adenosine triphosphatePubChem	0.926	507.181
dUMPPubChem	0.924	308.182
dUDPPubChem	0.911	388.162
1mrsPubChem	0.9	338.208
citratePubChem	0.9	192.124
hydron; phosphonato phosphatePubChem	0.9	175.959
hydride acetatePubChem	0.9	61.0599
DB03846PubChem	0.8	339.216
DB03666PubChem	0.8	347.221
DB02452PubChem	0.8	482.168
DB03280PubChem	0.8	891.354
deoxyribosylthyminePubChem	0.8	242.229
thymidine-2-14CPubChem	0.775	242.229