BindingDB Reactant_set_id	Ligand SMILES	Ligand InChI	Ligand InChI Key	BindingDB MonomerID	BindingDB Ligand Name	Target Name	Target Source Organism According to Curator or DataSource	Ki (nM)	IC50 (nM)	Kd (nM)	EC50 (nM)	kon (M-1-s-1)	koff (s-1)	pH	Temp (C)	Curation/DataSource	Article DOI	BindingDB Entry DOI	PMID	PubChem AID	Patent Number	Authors	Institution	Link to Ligand in BindingDB	Link to Target in BindingDB	Link to Ligand-Target Pair in BindingDB	Ligand HET ID in PDB	PDB ID(s) for Ligand-Target Complex	PubChem CID of Ligand	PubChem SID of Ligand	ChEBI ID of Ligand	ChEMBL ID of Ligand	DrugBank ID of Ligand	IUPHAR_GRAC ID of Ligand	KEGG ID of Ligand	ZINC ID of Ligand	Number of Protein Chains in Target (>1 implies a multichain complex)	BindingDB Target Chain Sequence	PDB ID(s) of Target Chain	UniProt (SwissProt) Recommended Name of Target Chain	UniProt (SwissProt) Entry Name of Target Chain	UniProt (SwissProt) Primary ID of Target Chain	UniProt (SwissProt) Secondary ID(s) of Target Chain	UniProt (SwissProt) Alternative ID(s) of Target Chain	UniProt (TrEMBL) Submitted Name of Target Chain	UniProt (TrEMBL) Entry Name of Target Chain	UniProt (TrEMBL) Primary ID of Target Chain	UniProt (TrEMBL) Secondary ID(s) of Target Chain	UniProt (TrEMBL) Alternative ID(s) of Target Chain
200845	Nc1ccc(Sc2ccc(cc2)N2C(=O)c3ccc(N)cc3C2=O)cc1	InChI=1S/C20H15N3O2S/c21-12-1-6-15(7-2-12)26-16-8-4-14(5-9-16)23-19(24)17-10-3-13(22)11-18(17)20(23)25/h1-11H,21-22H2	FQQVTDIBUYSVHM-UHFFFAOYSA-N	92569	Arylamine compound 2	Cytochrome P450 130	Mycobacterium tuberculosis			 4.9e+3						Curated from the literature by BindingDB	10.1074/jbc.M109.017632	10.7270/Q2RR1WVC	19605350	aid1799801		Podust, LM; Ouellet, H; von Kries, JP; de Montellano, PR	University of California San Francisco	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=92569	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5226&target=Cytochrome+P450+130&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=92569&enzyme=Cytochrome+P450+130&column=ki&startPg=0&Increment=50&submit=Search	II2	2WH8	1202104	160845066			DB07971			ZINC00969294	1	MTSVMSHEFQLATAETWPNPWPMYRALRDHDPVHHVVPPQRPEYDYYVLSRHADVWSAARDHQTFSSAQGLTVNYGELEMIGLHDTPPMVMQDPPVHTEFRKLVSRGFTPRQVETVEPTVRKFVVERLEKLRANGGGDIVTELFKPLPSMVVAHYLGVPEEDWTQFDGWTQAIVAANAVDGATTGALDAVGSMMAYFTGLIERRRTEPADDAISHLVAAGVGADGDTAGTLSILAFTFTMVTGGNDTVTGMLGGSMPLLHRRPDQRRLLLDDPEGIPDAVEELLRLTSPVQGLARTTTRDVTIGDTTIPAGRRVLLLYGSANRDERQYGPDAAELDVTRCPRNILTFSHGAHHCLGAAAARMQCRVALTELLARCPDFEVAESRIVWSGGSYVRRPLSVPFRVTS	2UUQ,2UVN,2WH8,2WHF	Cytochrome P450 130	CP130_MYCTU	P9WPN5	L0T6B9 Q11062						
200846	Cc1cccc(c1)-n1cnc2cc(N)ccc12	InChI=1S/C14H13N3/c1-10-3-2-4-12(7-10)17-9-16-13-8-11(15)5-6-14(13)17/h2-9H,15H2,1H3	VFSVFGIODYZMOF-UHFFFAOYSA-N	92570	Arylamine compound 4	Cytochrome P450 130	Mycobacterium tuberculosis			 3.26e+4						Curated from the literature by BindingDB	10.1074/jbc.M109.017632	10.7270/Q2RR1WVC	19605350	aid1799801		Podust, LM; Ouellet, H; von Kries, JP; de Montellano, PR	University of California San Francisco	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=92570	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5226&target=Cytochrome+P450+130&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=92570&enzyme=Cytochrome+P450+130&column=ki&startPg=0&Increment=50&submit=Search	II4	2WHF	1510981	160845067			DB07972			ZINC01431382	1	MTSVMSHEFQLATAETWPNPWPMYRALRDHDPVHHVVPPQRPEYDYYVLSRHADVWSAARDHQTFSSAQGLTVNYGELEMIGLHDTPPMVMQDPPVHTEFRKLVSRGFTPRQVETVEPTVRKFVVERLEKLRANGGGDIVTELFKPLPSMVVAHYLGVPEEDWTQFDGWTQAIVAANAVDGATTGALDAVGSMMAYFTGLIERRRTEPADDAISHLVAAGVGADGDTAGTLSILAFTFTMVTGGNDTVTGMLGGSMPLLHRRPDQRRLLLDDPEGIPDAVEELLRLTSPVQGLARTTTRDVTIGDTTIPAGRRVLLLYGSANRDERQYGPDAAELDVTRCPRNILTFSHGAHHCLGAAAARMQCRVALTELLARCPDFEVAESRIVWSGGSYVRRPLSVPFRVTS	2UUQ,2UVN,2WH8,2WHF	Cytochrome P450 130	CP130_MYCTU	P9WPN5	L0T6B9 Q11062						
200847	Nc1ccc(Oc2ccc3nc(-c4ccccn4)c(nc3c2)-c2ccccn2)cc1	InChI=1S/C24H17N5O/c25-16-7-9-17(10-8-16)30-18-11-12-19-22(15-18)29-24(21-6-2-4-14-27-21)23(28-19)20-5-1-3-13-26-20/h1-15H,25H2	UEGAZOOLTJULBA-UHFFFAOYSA-N	92571	Arylamine compound 5	Cytochrome P450 130	Mycobacterium tuberculosis			 7.02e+3						Curated from the literature by BindingDB	10.1074/jbc.M109.017632	10.7270/Q2RR1WVC	19605350	aid1799801		Podust, LM; Ouellet, H; von Kries, JP; de Montellano, PR	University of California San Francisco	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=92571	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5226&target=Cytochrome+P450+130&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=92571&enzyme=Cytochrome+P450+130&column=ki&startPg=0&Increment=50&submit=Search			1101734	160845068						ZINC00826727	1	MTSVMSHEFQLATAETWPNPWPMYRALRDHDPVHHVVPPQRPEYDYYVLSRHADVWSAARDHQTFSSAQGLTVNYGELEMIGLHDTPPMVMQDPPVHTEFRKLVSRGFTPRQVETVEPTVRKFVVERLEKLRANGGGDIVTELFKPLPSMVVAHYLGVPEEDWTQFDGWTQAIVAANAVDGATTGALDAVGSMMAYFTGLIERRRTEPADDAISHLVAAGVGADGDTAGTLSILAFTFTMVTGGNDTVTGMLGGSMPLLHRRPDQRRLLLDDPEGIPDAVEELLRLTSPVQGLARTTTRDVTIGDTTIPAGRRVLLLYGSANRDERQYGPDAAELDVTRCPRNILTFSHGAHHCLGAAAARMQCRVALTELLARCPDFEVAESRIVWSGGSYVRRPLSVPFRVTS	2UUQ,2UVN,2WH8,2WHF	Cytochrome P450 130	CP130_MYCTU	P9WPN5	L0T6B9 Q11062						
200848	Nc1ccccc1	InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2	PAYRUJLWNCNPSJ-UHFFFAOYSA-N	92572	Aniline	Cytochrome P450 130	Mycobacterium tuberculosis			 2.504e+6						Curated from the literature by BindingDB	10.1074/jbc.M109.017632	10.7270/Q2RR1WVC	19605350	aid1799801		Podust, LM; Ouellet, H; von Kries, JP; de Montellano, PR	University of California San Francisco	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=92572	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5226&target=Cytochrome+P450+130&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=92572&enzyme=Cytochrome+P450+130&column=ki&startPg=0&Increment=50&submit=Search	ANL	1PPA,2OV4,7BS7,5MNA,5MNC,5CIE,3MS3,1HJ9,7BS0,3GUN,1AEE	6115	160845069	17296		DB06728		C00292	ZINC17886255	1	MTSVMSHEFQLATAETWPNPWPMYRALRDHDPVHHVVPPQRPEYDYYVLSRHADVWSAARDHQTFSSAQGLTVNYGELEMIGLHDTPPMVMQDPPVHTEFRKLVSRGFTPRQVETVEPTVRKFVVERLEKLRANGGGDIVTELFKPLPSMVVAHYLGVPEEDWTQFDGWTQAIVAANAVDGATTGALDAVGSMMAYFTGLIERRRTEPADDAISHLVAAGVGADGDTAGTLSILAFTFTMVTGGNDTVTGMLGGSMPLLHRRPDQRRLLLDDPEGIPDAVEELLRLTSPVQGLARTTTRDVTIGDTTIPAGRRVLLLYGSANRDERQYGPDAAELDVTRCPRNILTFSHGAHHCLGAAAARMQCRVALTELLARCPDFEVAESRIVWSGGSYVRRPLSVPFRVTS	2UUQ,2UVN,2WH8,2WHF	Cytochrome P450 130	CP130_MYCTU	P9WPN5	L0T6B9 Q11062						
200849	NCc1ccccc1	InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2	WGQKYBSKWIADBV-UHFFFAOYSA-N	10999	Benzenemethanamine::CHEMBL522::benzylamine::phenylmethanamine	Cytochrome P450 130	Mycobacterium tuberculosis			 9.997e+6						Curated from the literature by BindingDB	10.1074/jbc.M109.017632	10.7270/Q2RR1WVC	19605350	aid1799801		Podust, LM; Ouellet, H; von Kries, JP; de Montellano, PR	University of California San Francisco	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=10999	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5226&target=Cytochrome+P450+130&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=10999&enzyme=Cytochrome+P450+130&column=ki&startPg=0&Increment=50&submit=Search	ABN	5PA9,1UTJ,2HXC,5MNL,5MNM,5MNK,4JSU,4JSQ,2BZA,3NZW,4EV5,1N6Y,1N6X,2EUS,1UTN,6T56,4JT0,3NZX,3NZJ	7504	172097193	40538	CHEMBL522	DB02464		C15562	ZINC06096244	1	MTSVMSHEFQLATAETWPNPWPMYRALRDHDPVHHVVPPQRPEYDYYVLSRHADVWSAARDHQTFSSAQGLTVNYGELEMIGLHDTPPMVMQDPPVHTEFRKLVSRGFTPRQVETVEPTVRKFVVERLEKLRANGGGDIVTELFKPLPSMVVAHYLGVPEEDWTQFDGWTQAIVAANAVDGATTGALDAVGSMMAYFTGLIERRRTEPADDAISHLVAAGVGADGDTAGTLSILAFTFTMVTGGNDTVTGMLGGSMPLLHRRPDQRRLLLDDPEGIPDAVEELLRLTSPVQGLARTTTRDVTIGDTTIPAGRRVLLLYGSANRDERQYGPDAAELDVTRCPRNILTFSHGAHHCLGAAAARMQCRVALTELLARCPDFEVAESRIVWSGGSYVRRPLSVPFRVTS	2UUQ,2UVN,2WH8,2WHF	Cytochrome P450 130	CP130_MYCTU	P9WPN5	L0T6B9 Q11062						
200850	Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1	InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2	LEZWWPYKPKIXLL-UHFFFAOYSA-N	31773	ECONAZOLE::Econazole nitrate::Gyno-pevaryl::Pevaryl::cid_68589	Cytochrome P450 130	Mycobacterium tuberculosis			 4.5e+3						Curated from the literature by BindingDB	10.1074/jbc.M109.017632	10.7270/Q2RR1WVC	19605350	aid1799801		Podust, LM; Ouellet, H; von Kries, JP; de Montellano, PR	University of California San Francisco	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31773	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5226&target=Cytochrome+P450+130&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31773&enzyme=Cytochrome+P450+130&column=ki&startPg=0&Increment=50&submit=Search	ECL	6B5V,3JUS,7S8C,3R9C	3198	85240399			DB01127		C08068	ZINC00643055	1	MTSVMSHEFQLATAETWPNPWPMYRALRDHDPVHHVVPPQRPEYDYYVLSRHADVWSAARDHQTFSSAQGLTVNYGELEMIGLHDTPPMVMQDPPVHTEFRKLVSRGFTPRQVETVEPTVRKFVVERLEKLRANGGGDIVTELFKPLPSMVVAHYLGVPEEDWTQFDGWTQAIVAANAVDGATTGALDAVGSMMAYFTGLIERRRTEPADDAISHLVAAGVGADGDTAGTLSILAFTFTMVTGGNDTVTGMLGGSMPLLHRRPDQRRLLLDDPEGIPDAVEELLRLTSPVQGLARTTTRDVTIGDTTIPAGRRVLLLYGSANRDERQYGPDAAELDVTRCPRNILTFSHGAHHCLGAAAARMQCRVALTELLARCPDFEVAESRIVWSGGSYVRRPLSVPFRVTS	2UUQ,2UVN,2WH8,2WHF	Cytochrome P450 130	CP130_MYCTU	P9WPN5	L0T6B9 Q11062						
200851	Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1	InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H	VNFPBHJOKIVQEB-UHFFFAOYSA-N	31774	CHEMBL104::Canesten::Clotrimazole::Lotrimin::Mycelex::US9138393, Clotrimazole::cid_2812	Cytochrome P450 130	Mycobacterium tuberculosis			 6.1e+3						Curated from the literature by BindingDB	10.1074/jbc.M109.017632	10.7270/Q2RR1WVC	19605350	aid1799801		Podust, LM; Ouellet, H; von Kries, JP; de Montellano, PR	University of California San Francisco	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31774	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5226&target=Cytochrome+P450+130&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31774&enzyme=Cytochrome+P450+130&column=ki&startPg=0&Increment=50&submit=Search	CL6	6H1T,4XE3,7AXJ,7AXA,6UW2,3MDV,2XFH	2812	85240400	3764	CHEMBL104	DB00257	2330	C06922	ZINC03807804	1	MTSVMSHEFQLATAETWPNPWPMYRALRDHDPVHHVVPPQRPEYDYYVLSRHADVWSAARDHQTFSSAQGLTVNYGELEMIGLHDTPPMVMQDPPVHTEFRKLVSRGFTPRQVETVEPTVRKFVVERLEKLRANGGGDIVTELFKPLPSMVVAHYLGVPEEDWTQFDGWTQAIVAANAVDGATTGALDAVGSMMAYFTGLIERRRTEPADDAISHLVAAGVGADGDTAGTLSILAFTFTMVTGGNDTVTGMLGGSMPLLHRRPDQRRLLLDDPEGIPDAVEELLRLTSPVQGLARTTTRDVTIGDTTIPAGRRVLLLYGSANRDERQYGPDAAELDVTRCPRNILTFSHGAHHCLGAAAARMQCRVALTELLARCPDFEVAESRIVWSGGSYVRRPLSVPFRVTS	2UUQ,2UVN,2WH8,2WHF	Cytochrome P450 130	CP130_MYCTU	P9WPN5	L0T6B9 Q11062						
50622348	Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1	InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H	VNFPBHJOKIVQEB-UHFFFAOYSA-N	31774	CHEMBL104::Canesten::Clotrimazole::Lotrimin::Mycelex::US9138393, Clotrimazole::cid_2812	Cytochrome P450 130	Mycobacterium tuberculosis			 13300						ChEMBL	10.1128/AAC.01237-08	10.7270/Q22V2GCB	19075057			Warrilow, AG; Jackson, CJ; Parker, JE; Marczylo, TH; Kelly, DE; Lamb, DC; Kelly, SL	Swansea University	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31774	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=5226&target=Cytochrome+P450+130&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=31774&enzyme=Cytochrome+P450+130&column=ki&startPg=0&Increment=50&submit=Search	CL6	6H1T,4XE3,7AXJ,7AXA,6UW2,3MDV,2XFH	2812	85240400	3764	CHEMBL104	DB00257	2330	C06922	ZINC03807804	1	MTSVMSHEFQLATAETWPNPWPMYRALRDHDPVHHVVPPQRPEYDYYVLSRHADVWSAARDHQTFSSAQGLTVNYGELEMIGLHDTPPMVMQDPPVHTEFRKLVSRGFTPRQVETVEPTVRKFVVERLEKLRANGGGDIVTELFKPLPSMVVAHYLGVPEEDWTQFDGWTQAIVAANAVDGATTGALDAVGSMMAYFTGLIERRRTEPADDAISHLVAAGVGADGDTAGTLSILAFTFTMVTGGNDTVTGMLGGSMPLLHRRPDQRRLLLDDPEGIPDAVEELLRLTSPVQGLARTTTRDVTIGDTTIPAGRRVLLLYGSANRDERQYGPDAAELDVTRCPRNILTFSHGAHHCLGAAAARMQCRVALTELLARCPDFEVAESRIVWSGGSYVRRPLSVPFRVTS	2UUQ,2UVN,2WH8,2WHF	Cytochrome P450 130	CP130_MYCTU	P9WPN5	L0T6B9 Q11062