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
50988936	Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)-c1ccc(CC#N)cc1	InChI=1S/C22H17ClN6/c23-16-7-8-18-17(11-16)22(26-20-12-19(28-29-20)14-5-6-14)27-21(25-18)15-3-1-13(2-4-15)9-10-24/h1-4,7-8,11-12,14H,5-6,9H2,(H2,25,26,27,28,29)	GPCMWBQIVBWEHE-UHFFFAOYSA-N	50279720	CHEMBL4177229	Serine/threonine-protein kinase PknA		>4000								ChEMBL	10.1021/acsmedchemlett.7b00239	10.7270/Q2183910	29259738			Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U	Vertex Pharmaceuticals Inc	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279720	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007605&target=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279720&enzyme=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search			134816681	406793944					C04116		1	MSPRVGVTLSGRYRLQRLIATGGMGQVWEAVDNRLGRRVAVKVLKSEFSSDPEFIERFRAEARTTAMLNHPGIASVHDYGESQMNGEGRTAYLVMELVNGEPLNSVLKRTGRLSLRHALDMLEQTGRALQIAHAAGLVHRDVKPGNILITPTGQVKITDFGIAKAVDAAPVTQTGMVMGTAQYIAPEQALGHDASPASDVYSLGVVGYEAVSGKRPFAGDGALTVAMKHIKEPPPPLPPDLPPNVRELIEITLVKNPAMRYRSGGPFADAVAAVRAGRRPPRPSQTPPPGRAAPAAIPSGTTARVAANSAGRTAASRRSRPATGGHRPPRRTFSSGQRALLWAAGVLGALAIIIAVLLVIKAPGDNSPQQAPTPTVTTTGNPPASNTGGTDASPRLNWTERGETRHSGLQSWVVPPTPHSRASLARYEIAQ	4OW8,4X3F,6B2Q	Serine/threonine-protein kinase PknA	PKNA_MYCTU	P9WI83	L0T594 P65726 P71585						
50988938	Cc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)N1CCCCCC1	InChI=1S/C21H26N6/c1-14-6-9-17-16(12-14)20(23-19-13-18(25-26-19)15-7-8-15)24-21(22-17)27-10-4-2-3-5-11-27/h6,9,12-13,15H,2-5,7-8,10-11H2,1H3,(H2,22,23,24,25,26)	CLMPQGVQPATTMF-UHFFFAOYSA-N	50279722	CHEMBL4170024	Serine/threonine-protein kinase PknA		>33000								ChEMBL	10.1021/acsmedchemlett.7b00239	10.7270/Q2183910	29259738			Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U	Vertex Pharmaceuticals Inc	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279722	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007605&target=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279722&enzyme=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search			134816644	406793946							1	MSPRVGVTLSGRYRLQRLIATGGMGQVWEAVDNRLGRRVAVKVLKSEFSSDPEFIERFRAEARTTAMLNHPGIASVHDYGESQMNGEGRTAYLVMELVNGEPLNSVLKRTGRLSLRHALDMLEQTGRALQIAHAAGLVHRDVKPGNILITPTGQVKITDFGIAKAVDAAPVTQTGMVMGTAQYIAPEQALGHDASPASDVYSLGVVGYEAVSGKRPFAGDGALTVAMKHIKEPPPPLPPDLPPNVRELIEITLVKNPAMRYRSGGPFADAVAAVRAGRRPPRPSQTPPPGRAAPAAIPSGTTARVAANSAGRTAASRRSRPATGGHRPPRRTFSSGQRALLWAAGVLGALAIIIAVLLVIKAPGDNSPQQAPTPTVTTTGNPPASNTGGTDASPRLNWTERGETRHSGLQSWVVPPTPHSRASLARYEIAQ	4OW8,4X3F,6B2Q	Serine/threonine-protein kinase PknA	PKNA_MYCTU	P9WI83	L0T594 P65726 P71585						
50988947	NC(=O)Cc1ccc(cc1)-c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1	InChI=1S/C22H19ClN6O/c23-15-7-8-17-16(10-15)22(26-20-11-18(28-29-20)13-5-6-13)27-21(25-17)14-3-1-12(2-4-14)9-19(24)30/h1-4,7-8,10-11,13H,5-6,9H2,(H2,24,30)(H2,25,26,27,28,29)	GOIICHGFAQNWAD-UHFFFAOYSA-N	50279736	CHEMBL4162511	Serine/threonine-protein kinase PknA		 1800								ChEMBL	10.1021/acsmedchemlett.7b00239	10.7270/Q2183910	29259738			Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U	Vertex Pharmaceuticals Inc	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279736	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007605&target=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279736&enzyme=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search			134816436	406793952							1	MSPRVGVTLSGRYRLQRLIATGGMGQVWEAVDNRLGRRVAVKVLKSEFSSDPEFIERFRAEARTTAMLNHPGIASVHDYGESQMNGEGRTAYLVMELVNGEPLNSVLKRTGRLSLRHALDMLEQTGRALQIAHAAGLVHRDVKPGNILITPTGQVKITDFGIAKAVDAAPVTQTGMVMGTAQYIAPEQALGHDASPASDVYSLGVVGYEAVSGKRPFAGDGALTVAMKHIKEPPPPLPPDLPPNVRELIEITLVKNPAMRYRSGGPFADAVAAVRAGRRPPRPSQTPPPGRAAPAAIPSGTTARVAANSAGRTAASRRSRPATGGHRPPRRTFSSGQRALLWAAGVLGALAIIIAVLLVIKAPGDNSPQQAPTPTVTTTGNPPASNTGGTDASPRLNWTERGETRHSGLQSWVVPPTPHSRASLARYEIAQ	4OW8,4X3F,6B2Q	Serine/threonine-protein kinase PknA	PKNA_MYCTU	P9WI83	L0T594 P65726 P71585						
50988948	NS(=O)(=O)c1cccc(c1)-c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1	InChI=1S/C20H17ClN6O2S/c21-13-6-7-16-15(9-13)20(24-18-10-17(26-27-18)11-4-5-11)25-19(23-16)12-2-1-3-14(8-12)30(22,28)29/h1-3,6-11H,4-5H2,(H2,22,28,29)(H2,23,24,25,26,27)	SRLXDMXPMLHYFH-UHFFFAOYSA-N	50279737	CHEMBL4170653	Serine/threonine-protein kinase PknA		<8.0								ChEMBL	10.1021/acsmedchemlett.7b00239	10.7270/Q2183910	29259738			Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U	Vertex Pharmaceuticals Inc	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279737	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007605&target=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279737&enzyme=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search			134816535	406793953							1	MSPRVGVTLSGRYRLQRLIATGGMGQVWEAVDNRLGRRVAVKVLKSEFSSDPEFIERFRAEARTTAMLNHPGIASVHDYGESQMNGEGRTAYLVMELVNGEPLNSVLKRTGRLSLRHALDMLEQTGRALQIAHAAGLVHRDVKPGNILITPTGQVKITDFGIAKAVDAAPVTQTGMVMGTAQYIAPEQALGHDASPASDVYSLGVVGYEAVSGKRPFAGDGALTVAMKHIKEPPPPLPPDLPPNVRELIEITLVKNPAMRYRSGGPFADAVAAVRAGRRPPRPSQTPPPGRAAPAAIPSGTTARVAANSAGRTAASRRSRPATGGHRPPRRTFSSGQRALLWAAGVLGALAIIIAVLLVIKAPGDNSPQQAPTPTVTTTGNPPASNTGGTDASPRLNWTERGETRHSGLQSWVVPPTPHSRASLARYEIAQ	4OW8,4X3F,6B2Q	Serine/threonine-protein kinase PknA	PKNA_MYCTU	P9WI83	L0T594 P65726 P71585						
50988972	Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)-c1cccc(c1)C#N	InChI=1S/C21H15ClN6/c22-15-6-7-17-16(9-15)21(25-19-10-18(27-28-19)13-4-5-13)26-20(24-17)14-3-1-2-12(8-14)11-23/h1-3,6-10,13H,4-5H2,(H2,24,25,26,27,28)	UASKPELCJPQDEL-UHFFFAOYSA-N	50279735	CHEMBL4173877	Serine/threonine-protein kinase PknA		>4000								ChEMBL	10.1021/acsmedchemlett.7b00239	10.7270/Q2183910	29259738			Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U	Vertex Pharmaceuticals Inc	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279735	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007605&target=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279735&enzyme=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search			134816433	406793951							1	MSPRVGVTLSGRYRLQRLIATGGMGQVWEAVDNRLGRRVAVKVLKSEFSSDPEFIERFRAEARTTAMLNHPGIASVHDYGESQMNGEGRTAYLVMELVNGEPLNSVLKRTGRLSLRHALDMLEQTGRALQIAHAAGLVHRDVKPGNILITPTGQVKITDFGIAKAVDAAPVTQTGMVMGTAQYIAPEQALGHDASPASDVYSLGVVGYEAVSGKRPFAGDGALTVAMKHIKEPPPPLPPDLPPNVRELIEITLVKNPAMRYRSGGPFADAVAAVRAGRRPPRPSQTPPPGRAAPAAIPSGTTARVAANSAGRTAASRRSRPATGGHRPPRRTFSSGQRALLWAAGVLGALAIIIAVLLVIKAPGDNSPQQAPTPTVTTTGNPPASNTGGTDASPRLNWTERGETRHSGLQSWVVPPTPHSRASLARYEIAQ	4OW8,4X3F,6B2Q	Serine/threonine-protein kinase PknA	PKNA_MYCTU	P9WI83	L0T594 P65726 P71585						
50988978	NC(=O)c1ccc(cc1)-c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1	InChI=1S/C21H17ClN6O/c22-14-7-8-16-15(9-14)21(25-18-10-17(27-28-18)11-1-2-11)26-20(24-16)13-5-3-12(4-6-13)19(23)29/h3-11H,1-2H2,(H2,23,29)(H2,24,25,26,27,28)	UHUGFQOKNTWXJT-UHFFFAOYSA-N	50279750	CHEMBL4159344	Serine/threonine-protein kinase PknA		>4000								ChEMBL	10.1021/acsmedchemlett.7b00239	10.7270/Q2183910	29259738			Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U	Vertex Pharmaceuticals Inc	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279750	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007605&target=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279750&enzyme=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search			134816532	406793960							1	MSPRVGVTLSGRYRLQRLIATGGMGQVWEAVDNRLGRRVAVKVLKSEFSSDPEFIERFRAEARTTAMLNHPGIASVHDYGESQMNGEGRTAYLVMELVNGEPLNSVLKRTGRLSLRHALDMLEQTGRALQIAHAAGLVHRDVKPGNILITPTGQVKITDFGIAKAVDAAPVTQTGMVMGTAQYIAPEQALGHDASPASDVYSLGVVGYEAVSGKRPFAGDGALTVAMKHIKEPPPPLPPDLPPNVRELIEITLVKNPAMRYRSGGPFADAVAAVRAGRRPPRPSQTPPPGRAAPAAIPSGTTARVAANSAGRTAASRRSRPATGGHRPPRRTFSSGQRALLWAAGVLGALAIIIAVLLVIKAPGDNSPQQAPTPTVTTTGNPPASNTGGTDASPRLNWTERGETRHSGLQSWVVPPTPHSRASLARYEIAQ	4OW8,4X3F,6B2Q	Serine/threonine-protein kinase PknA	PKNA_MYCTU	P9WI83	L0T594 P65726 P71585						
50988979	Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)-c1ccc(cc1)C#N	InChI=1S/C21H15ClN6/c22-15-7-8-17-16(9-15)21(25-19-10-18(27-28-19)13-5-6-13)26-20(24-17)14-3-1-12(11-23)2-4-14/h1-4,7-10,13H,5-6H2,(H2,24,25,26,27,28)	KCPRSPILMCRMSU-UHFFFAOYSA-N	50279724	CHEMBL4167265	Serine/threonine-protein kinase PknA		>4000								ChEMBL	10.1021/acsmedchemlett.7b00239	10.7270/Q2183910	29259738			Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U	Vertex Pharmaceuticals Inc	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279724	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007605&target=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279724&enzyme=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search			134816533	406793948							1	MSPRVGVTLSGRYRLQRLIATGGMGQVWEAVDNRLGRRVAVKVLKSEFSSDPEFIERFRAEARTTAMLNHPGIASVHDYGESQMNGEGRTAYLVMELVNGEPLNSVLKRTGRLSLRHALDMLEQTGRALQIAHAAGLVHRDVKPGNILITPTGQVKITDFGIAKAVDAAPVTQTGMVMGTAQYIAPEQALGHDASPASDVYSLGVVGYEAVSGKRPFAGDGALTVAMKHIKEPPPPLPPDLPPNVRELIEITLVKNPAMRYRSGGPFADAVAAVRAGRRPPRPSQTPPPGRAAPAAIPSGTTARVAANSAGRTAASRRSRPATGGHRPPRRTFSSGQRALLWAAGVLGALAIIIAVLLVIKAPGDNSPQQAPTPTVTTTGNPPASNTGGTDASPRLNWTERGETRHSGLQSWVVPPTPHSRASLARYEIAQ	4OW8,4X3F,6B2Q	Serine/threonine-protein kinase PknA	PKNA_MYCTU	P9WI83	L0T594 P65726 P71585						
50988982	NS(=O)(=O)c1ccc(cc1)-c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1	InChI=1S/C20H17ClN6O2S/c21-13-5-8-16-15(9-13)20(24-18-10-17(26-27-18)11-1-2-11)25-19(23-16)12-3-6-14(7-4-12)30(22,28)29/h3-11H,1-2H2,(H2,22,28,29)(H2,23,24,25,26,27)	XUQQFBJTQJYWPD-UHFFFAOYSA-N	50279751	CHEMBL4162719	Serine/threonine-protein kinase PknA		 22								ChEMBL	10.1021/acsmedchemlett.7b00239	10.7270/Q2183910	29259738			Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U	Vertex Pharmaceuticals Inc	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279751	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007605&target=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279751&enzyme=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search			134816534	406793961							1	MSPRVGVTLSGRYRLQRLIATGGMGQVWEAVDNRLGRRVAVKVLKSEFSSDPEFIERFRAEARTTAMLNHPGIASVHDYGESQMNGEGRTAYLVMELVNGEPLNSVLKRTGRLSLRHALDMLEQTGRALQIAHAAGLVHRDVKPGNILITPTGQVKITDFGIAKAVDAAPVTQTGMVMGTAQYIAPEQALGHDASPASDVYSLGVVGYEAVSGKRPFAGDGALTVAMKHIKEPPPPLPPDLPPNVRELIEITLVKNPAMRYRSGGPFADAVAAVRAGRRPPRPSQTPPPGRAAPAAIPSGTTARVAANSAGRTAASRRSRPATGGHRPPRRTFSSGQRALLWAAGVLGALAIIIAVLLVIKAPGDNSPQQAPTPTVTTTGNPPASNTGGTDASPRLNWTERGETRHSGLQSWVVPPTPHSRASLARYEIAQ	4OW8,4X3F,6B2Q	Serine/threonine-protein kinase PknA	PKNA_MYCTU	P9WI83	L0T594 P65726 P71585						
50988984	NS(=O)(=O)c1ccc(s1)-c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1	InChI=1S/C47H67N7O10/c1-26(2)18-35(39(55)22-41(57)50-28(5)43(59)51-36(19-27(3)4)40(56)23-42(58)63-9)52-44(60)37(20-29-24-48-33-16-12-10-14-31(29)33)53-45(61)38(54-46(62)64-47(6,7)8)21-30-25-49-34-17-13-11-15-32(30)34/h10-17,24-28,35-40,48-49,55-56H,18-23H2,1-9H3,(H,50,57)(H,51,59)(H,52,60)(H,53,61)(H,54,62)/t28?,35?,36?,37-,38?,39?,40?/m1/s1	JVHYJYRMDZDSFP-MJWPMPFTSA-N	50279757	CHEMBL4166160	Serine/threonine-protein kinase PknA		<8.0								ChEMBL	10.1021/acsmedchemlett.7b00239	10.7270/Q2183910	29259738			Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U	Vertex Pharmaceuticals Inc	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279757	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007605&target=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279757&enzyme=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search			134815875	104121461							1	MSPRVGVTLSGRYRLQRLIATGGMGQVWEAVDNRLGRRVAVKVLKSEFSSDPEFIERFRAEARTTAMLNHPGIASVHDYGESQMNGEGRTAYLVMELVNGEPLNSVLKRTGRLSLRHALDMLEQTGRALQIAHAAGLVHRDVKPGNILITPTGQVKITDFGIAKAVDAAPVTQTGMVMGTAQYIAPEQALGHDASPASDVYSLGVVGYEAVSGKRPFAGDGALTVAMKHIKEPPPPLPPDLPPNVRELIEITLVKNPAMRYRSGGPFADAVAAVRAGRRPPRPSQTPPPGRAAPAAIPSGTTARVAANSAGRTAASRRSRPATGGHRPPRRTFSSGQRALLWAAGVLGALAIIIAVLLVIKAPGDNSPQQAPTPTVTTTGNPPASNTGGTDASPRLNWTERGETRHSGLQSWVVPPTPHSRASLARYEIAQ	4OW8,4X3F,6B2Q	Serine/threonine-protein kinase PknA	PKNA_MYCTU	P9WI83	L0T594 P65726 P71585						
50988990	NS(=O)(=O)c1ccc(cc1)-c1ncc(Cl)c(Nc2cc([nH]n2)C2CC2)n1	InChI=1S/C16H15ClN6O2S/c17-12-8-19-15(10-3-5-11(6-4-10)26(18,24)25)21-16(12)20-14-7-13(22-23-14)9-1-2-9/h3-9H,1-2H2,(H2,18,24,25)(H2,19,20,21,22,23)	PQXLABPJDAZJCK-UHFFFAOYSA-N	50279734	CHEMBL4177445	Serine/threonine-protein kinase PknA		 2900								ChEMBL	10.1021/acsmedchemlett.7b00239	10.7270/Q2183910	29259738			Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U	Vertex Pharmaceuticals Inc	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279734	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007605&target=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279734&enzyme=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search			58169162	406793950							1	MSPRVGVTLSGRYRLQRLIATGGMGQVWEAVDNRLGRRVAVKVLKSEFSSDPEFIERFRAEARTTAMLNHPGIASVHDYGESQMNGEGRTAYLVMELVNGEPLNSVLKRTGRLSLRHALDMLEQTGRALQIAHAAGLVHRDVKPGNILITPTGQVKITDFGIAKAVDAAPVTQTGMVMGTAQYIAPEQALGHDASPASDVYSLGVVGYEAVSGKRPFAGDGALTVAMKHIKEPPPPLPPDLPPNVRELIEITLVKNPAMRYRSGGPFADAVAAVRAGRRPPRPSQTPPPGRAAPAAIPSGTTARVAANSAGRTAASRRSRPATGGHRPPRRTFSSGQRALLWAAGVLGALAIIIAVLLVIKAPGDNSPQQAPTPTVTTTGNPPASNTGGTDASPRLNWTERGETRHSGLQSWVVPPTPHSRASLARYEIAQ	4OW8,4X3F,6B2Q	Serine/threonine-protein kinase PknA	PKNA_MYCTU	P9WI83	L0T594 P65726 P71585						
50988991	NS(=O)(=O)c1cccc(c1)-c1ncc(Cl)c(Nc2cc([nH]n2)C2CC2)n1	InChI=1S/C46H63N5O10/c1-29(2)22-35(39(52)26-41(54)47-31(5)43(56)48-36(23-30(3)4)40(53)27-42(55)60-6)49-44(57)37(24-32-16-10-7-11-17-32)50-45(58)38(25-33-18-12-8-13-19-33)51-46(59)61-28-34-20-14-9-15-21-34/h7-21,29-31,35-40,52-53H,22-28H2,1-6H3,(H,47,54)(H,48,56)(H,49,57)(H,50,58)(H,51,59)/t31?,35?,36?,37-,38?,39?,40?/m1/s1	WPCFURQHDKJTAG-ARVHPVHZSA-N	50279759	CHEMBL4172982	Serine/threonine-protein kinase PknA		<8.0								ChEMBL	10.1021/acsmedchemlett.7b00239	10.7270/Q2183910	29259738			Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U	Vertex Pharmaceuticals Inc	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279759	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007605&target=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279759&enzyme=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search			50943292	104121463						ZINC95606271	1	MSPRVGVTLSGRYRLQRLIATGGMGQVWEAVDNRLGRRVAVKVLKSEFSSDPEFIERFRAEARTTAMLNHPGIASVHDYGESQMNGEGRTAYLVMELVNGEPLNSVLKRTGRLSLRHALDMLEQTGRALQIAHAAGLVHRDVKPGNILITPTGQVKITDFGIAKAVDAAPVTQTGMVMGTAQYIAPEQALGHDASPASDVYSLGVVGYEAVSGKRPFAGDGALTVAMKHIKEPPPPLPPDLPPNVRELIEITLVKNPAMRYRSGGPFADAVAAVRAGRRPPRPSQTPPPGRAAPAAIPSGTTARVAANSAGRTAASRRSRPATGGHRPPRRTFSSGQRALLWAAGVLGALAIIIAVLLVIKAPGDNSPQQAPTPTVTTTGNPPASNTGGTDASPRLNWTERGETRHSGLQSWVVPPTPHSRASLARYEIAQ	4OW8,4X3F,6B2Q	Serine/threonine-protein kinase PknA	PKNA_MYCTU	P9WI83	L0T594 P65726 P71585						
50988997	NS(=O)(=O)c1ccc(s1)-c1ncc(C#N)c(Nc2cc([nH]n2)C2CC2)n1	InChI=1S/C15H13N7O2S2/c16-6-9-7-18-15(11-3-4-13(25-11)26(17,23)24)20-14(9)19-12-5-10(21-22-12)8-1-2-8/h3-5,7-8H,1-2H2,(H2,17,23,24)(H2,18,19,20,21,22)	VWDBOWHYYMADQM-UHFFFAOYSA-N	50279744	CHEMBL4165984	Serine/threonine-protein kinase PknA		 11								ChEMBL	10.1021/acsmedchemlett.7b00239	10.7270/Q2183910	29259738			Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U	Vertex Pharmaceuticals Inc	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279744	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007605&target=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279744&enzyme=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search			134815860	406793956							1	MSPRVGVTLSGRYRLQRLIATGGMGQVWEAVDNRLGRRVAVKVLKSEFSSDPEFIERFRAEARTTAMLNHPGIASVHDYGESQMNGEGRTAYLVMELVNGEPLNSVLKRTGRLSLRHALDMLEQTGRALQIAHAAGLVHRDVKPGNILITPTGQVKITDFGIAKAVDAAPVTQTGMVMGTAQYIAPEQALGHDASPASDVYSLGVVGYEAVSGKRPFAGDGALTVAMKHIKEPPPPLPPDLPPNVRELIEITLVKNPAMRYRSGGPFADAVAAVRAGRRPPRPSQTPPPGRAAPAAIPSGTTARVAANSAGRTAASRRSRPATGGHRPPRRTFSSGQRALLWAAGVLGALAIIIAVLLVIKAPGDNSPQQAPTPTVTTTGNPPASNTGGTDASPRLNWTERGETRHSGLQSWVVPPTPHSRASLARYEIAQ	4OW8,4X3F,6B2Q	Serine/threonine-protein kinase PknA	PKNA_MYCTU	P9WI83	L0T594 P65726 P71585						
50988999	Cc1cnc(nc1Nc1cc(C2CC2)n(C)n1)-c1ccc(s1)S(N)(=O)=O	InChI=1S/C16H18N6O2S2/c1-9-8-18-16(12-5-6-14(25-12)26(17,23)24)20-15(9)19-13-7-11(10-3-4-10)22(2)21-13/h5-8,10H,3-4H2,1-2H3,(H2,17,23,24)(H,18,19,20,21)	LOTNRMIDRONWNB-UHFFFAOYSA-N	50279776	CHEMBL4176789	Serine/threonine-protein kinase PknA		>4000								ChEMBL	10.1021/acsmedchemlett.7b00239	10.7270/Q2183910	29259738			Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U	Vertex Pharmaceuticals Inc	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279776	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007605&target=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279776&enzyme=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search			68375232	104121480							1	MSPRVGVTLSGRYRLQRLIATGGMGQVWEAVDNRLGRRVAVKVLKSEFSSDPEFIERFRAEARTTAMLNHPGIASVHDYGESQMNGEGRTAYLVMELVNGEPLNSVLKRTGRLSLRHALDMLEQTGRALQIAHAAGLVHRDVKPGNILITPTGQVKITDFGIAKAVDAAPVTQTGMVMGTAQYIAPEQALGHDASPASDVYSLGVVGYEAVSGKRPFAGDGALTVAMKHIKEPPPPLPPDLPPNVRELIEITLVKNPAMRYRSGGPFADAVAAVRAGRRPPRPSQTPPPGRAAPAAIPSGTTARVAANSAGRTAASRRSRPATGGHRPPRRTFSSGQRALLWAAGVLGALAIIIAVLLVIKAPGDNSPQQAPTPTVTTTGNPPASNTGGTDASPRLNWTERGETRHSGLQSWVVPPTPHSRASLARYEIAQ	4OW8,4X3F,6B2Q	Serine/threonine-protein kinase PknA	PKNA_MYCTU	P9WI83	L0T594 P65726 P71585						
50989001	Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)-c1ccccc1	InChI=1S/C20H16ClN5/c21-14-8-9-16-15(10-14)20(23-18-11-17(25-26-18)12-6-7-12)24-19(22-16)13-4-2-1-3-5-13/h1-5,8-12H,6-7H2,(H2,22,23,24,25,26)	FWZSHVGHFOUDDF-UHFFFAOYSA-N	50279777	CHEMBL4172772	Serine/threonine-protein kinase PknA		>4000								ChEMBL	10.1021/acsmedchemlett.7b00239	10.7270/Q2183910	29259738			Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U	Vertex Pharmaceuticals Inc	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279777	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007605&target=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279777&enzyme=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search			134816680	104121481						ZINC03928377	1	MSPRVGVTLSGRYRLQRLIATGGMGQVWEAVDNRLGRRVAVKVLKSEFSSDPEFIERFRAEARTTAMLNHPGIASVHDYGESQMNGEGRTAYLVMELVNGEPLNSVLKRTGRLSLRHALDMLEQTGRALQIAHAAGLVHRDVKPGNILITPTGQVKITDFGIAKAVDAAPVTQTGMVMGTAQYIAPEQALGHDASPASDVYSLGVVGYEAVSGKRPFAGDGALTVAMKHIKEPPPPLPPDLPPNVRELIEITLVKNPAMRYRSGGPFADAVAAVRAGRRPPRPSQTPPPGRAAPAAIPSGTTARVAANSAGRTAASRRSRPATGGHRPPRRTFSSGQRALLWAAGVLGALAIIIAVLLVIKAPGDNSPQQAPTPTVTTTGNPPASNTGGTDASPRLNWTERGETRHSGLQSWVVPPTPHSRASLARYEIAQ	4OW8,4X3F,6B2Q	Serine/threonine-protein kinase PknA	PKNA_MYCTU	P9WI83	L0T594 P65726 P71585						
50989009	Fc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)N1CCCCCC1	InChI=1S/C20H23FN6/c21-14-7-8-16-15(11-14)19(23-18-12-17(25-26-18)13-5-6-13)24-20(22-16)27-9-3-1-2-4-10-27/h7-8,11-13H,1-6,9-10H2,(H2,22,23,24,25,26)	DAIHDXXKJSBPCS-UHFFFAOYSA-N	50279802	CHEMBL4159392	Serine/threonine-protein kinase PknA		>33000								ChEMBL	10.1021/acsmedchemlett.7b00239	10.7270/Q2183910	29259738			Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U	Vertex Pharmaceuticals Inc	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279802	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007605&target=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279802&enzyme=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search			134816643	104121506							1	MSPRVGVTLSGRYRLQRLIATGGMGQVWEAVDNRLGRRVAVKVLKSEFSSDPEFIERFRAEARTTAMLNHPGIASVHDYGESQMNGEGRTAYLVMELVNGEPLNSVLKRTGRLSLRHALDMLEQTGRALQIAHAAGLVHRDVKPGNILITPTGQVKITDFGIAKAVDAAPVTQTGMVMGTAQYIAPEQALGHDASPASDVYSLGVVGYEAVSGKRPFAGDGALTVAMKHIKEPPPPLPPDLPPNVRELIEITLVKNPAMRYRSGGPFADAVAAVRAGRRPPRPSQTPPPGRAAPAAIPSGTTARVAANSAGRTAASRRSRPATGGHRPPRRTFSSGQRALLWAAGVLGALAIIIAVLLVIKAPGDNSPQQAPTPTVTTTGNPPASNTGGTDASPRLNWTERGETRHSGLQSWVVPPTPHSRASLARYEIAQ	4OW8,4X3F,6B2Q	Serine/threonine-protein kinase PknA	PKNA_MYCTU	P9WI83	L0T594 P65726 P71585						
50989010	COc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)N1CCCCCC1	InChI=1S/C21H26N6O/c1-28-15-8-9-17-16(12-15)20(23-19-13-18(25-26-19)14-6-7-14)24-21(22-17)27-10-4-2-3-5-11-27/h8-9,12-14H,2-7,10-11H2,1H3,(H2,22,23,24,25,26)	JIGBBJLFUUUTRT-UHFFFAOYSA-N	50279793	CHEMBL4174513	Serine/threonine-protein kinase PknA		>33000								ChEMBL	10.1021/acsmedchemlett.7b00239	10.7270/Q2183910	29259738			Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U	Vertex Pharmaceuticals Inc	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279793	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007605&target=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279793&enzyme=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search			134816472	104121497				989			1	MSPRVGVTLSGRYRLQRLIATGGMGQVWEAVDNRLGRRVAVKVLKSEFSSDPEFIERFRAEARTTAMLNHPGIASVHDYGESQMNGEGRTAYLVMELVNGEPLNSVLKRTGRLSLRHALDMLEQTGRALQIAHAAGLVHRDVKPGNILITPTGQVKITDFGIAKAVDAAPVTQTGMVMGTAQYIAPEQALGHDASPASDVYSLGVVGYEAVSGKRPFAGDGALTVAMKHIKEPPPPLPPDLPPNVRELIEITLVKNPAMRYRSGGPFADAVAAVRAGRRPPRPSQTPPPGRAAPAAIPSGTTARVAANSAGRTAASRRSRPATGGHRPPRRTFSSGQRALLWAAGVLGALAIIIAVLLVIKAPGDNSPQQAPTPTVTTTGNPPASNTGGTDASPRLNWTERGETRHSGLQSWVVPPTPHSRASLARYEIAQ	4OW8,4X3F,6B2Q	Serine/threonine-protein kinase PknA	PKNA_MYCTU	P9WI83	L0T594 P65726 P71585						
50989011	OCc1cccc(c1)-c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1	InChI=1S/C21H18ClN5O/c22-15-6-7-17-16(9-15)21(24-19-10-18(26-27-19)13-4-5-13)25-20(23-17)14-3-1-2-12(8-14)11-28/h1-3,6-10,13,28H,4-5,11H2,(H2,23,24,25,26,27)	SROZZKLIJIMKAK-UHFFFAOYSA-N	50279748	CHEMBL4170446	Serine/threonine-protein kinase PknA		 2300								ChEMBL	10.1021/acsmedchemlett.7b00239	10.7270/Q2183910	29259738			Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U	Vertex Pharmaceuticals Inc	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279748	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007605&target=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279748&enzyme=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search			134816435	406793959							1	MSPRVGVTLSGRYRLQRLIATGGMGQVWEAVDNRLGRRVAVKVLKSEFSSDPEFIERFRAEARTTAMLNHPGIASVHDYGESQMNGEGRTAYLVMELVNGEPLNSVLKRTGRLSLRHALDMLEQTGRALQIAHAAGLVHRDVKPGNILITPTGQVKITDFGIAKAVDAAPVTQTGMVMGTAQYIAPEQALGHDASPASDVYSLGVVGYEAVSGKRPFAGDGALTVAMKHIKEPPPPLPPDLPPNVRELIEITLVKNPAMRYRSGGPFADAVAAVRAGRRPPRPSQTPPPGRAAPAAIPSGTTARVAANSAGRTAASRRSRPATGGHRPPRRTFSSGQRALLWAAGVLGALAIIIAVLLVIKAPGDNSPQQAPTPTVTTTGNPPASNTGGTDASPRLNWTERGETRHSGLQSWVVPPTPHSRASLARYEIAQ	4OW8,4X3F,6B2Q	Serine/threonine-protein kinase PknA	PKNA_MYCTU	P9WI83	L0T594 P65726 P71585						
50989012	NS(=O)(=O)c1ccc(s1)-c1ncc(F)c(Nc2cc([nH]n2)C2CC2)n1	InChI=1S/C14H13FN6O2S2/c15-8-6-17-14(10-3-4-12(24-10)25(16,22)23)19-13(8)18-11-5-9(20-21-11)7-1-2-7/h3-7H,1-2H2,(H2,16,22,23)(H2,17,18,19,20,21)	AWBXPRVPFCQHOC-UHFFFAOYSA-N	50279715	CHEMBL4162544	Serine/threonine-protein kinase PknA		 12								ChEMBL	10.1021/acsmedchemlett.7b00239	10.7270/Q2183910	29259738			Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U	Vertex Pharmaceuticals Inc	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279715	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007605&target=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279715&enzyme=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search			50943452	406793943							1	MSPRVGVTLSGRYRLQRLIATGGMGQVWEAVDNRLGRRVAVKVLKSEFSSDPEFIERFRAEARTTAMLNHPGIASVHDYGESQMNGEGRTAYLVMELVNGEPLNSVLKRTGRLSLRHALDMLEQTGRALQIAHAAGLVHRDVKPGNILITPTGQVKITDFGIAKAVDAAPVTQTGMVMGTAQYIAPEQALGHDASPASDVYSLGVVGYEAVSGKRPFAGDGALTVAMKHIKEPPPPLPPDLPPNVRELIEITLVKNPAMRYRSGGPFADAVAAVRAGRRPPRPSQTPPPGRAAPAAIPSGTTARVAANSAGRTAASRRSRPATGGHRPPRRTFSSGQRALLWAAGVLGALAIIIAVLLVIKAPGDNSPQQAPTPTVTTTGNPPASNTGGTDASPRLNWTERGETRHSGLQSWVVPPTPHSRASLARYEIAQ	4OW8,4X3F,6B2Q	Serine/threonine-protein kinase PknA	PKNA_MYCTU	P9WI83	L0T594 P65726 P71585						
50989016	NC(=O)c1cccc(c1)-c1nc(Nc2cc([nH]n2)C2CC2)c2cc(Cl)ccc2n1	InChI=1S/C21H17ClN6O/c22-14-6-7-16-15(9-14)21(25-18-10-17(27-28-18)11-4-5-11)26-20(24-16)13-3-1-2-12(8-13)19(23)29/h1-3,6-11H,4-5H2,(H2,23,29)(H2,24,25,26,27,28)	WKDGTLAIOANTRH-UHFFFAOYSA-N	50279723	CHEMBL4165949	Serine/threonine-protein kinase PknA		>4000								ChEMBL	10.1021/acsmedchemlett.7b00239	10.7270/Q2183910	29259738			Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U	Vertex Pharmaceuticals Inc	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279723	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007605&target=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279723&enzyme=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search			134816434	406793947							1	MSPRVGVTLSGRYRLQRLIATGGMGQVWEAVDNRLGRRVAVKVLKSEFSSDPEFIERFRAEARTTAMLNHPGIASVHDYGESQMNGEGRTAYLVMELVNGEPLNSVLKRTGRLSLRHALDMLEQTGRALQIAHAAGLVHRDVKPGNILITPTGQVKITDFGIAKAVDAAPVTQTGMVMGTAQYIAPEQALGHDASPASDVYSLGVVGYEAVSGKRPFAGDGALTVAMKHIKEPPPPLPPDLPPNVRELIEITLVKNPAMRYRSGGPFADAVAAVRAGRRPPRPSQTPPPGRAAPAAIPSGTTARVAANSAGRTAASRRSRPATGGHRPPRRTFSSGQRALLWAAGVLGALAIIIAVLLVIKAPGDNSPQQAPTPTVTTTGNPPASNTGGTDASPRLNWTERGETRHSGLQSWVVPPTPHSRASLARYEIAQ	4OW8,4X3F,6B2Q	Serine/threonine-protein kinase PknA	PKNA_MYCTU	P9WI83	L0T594 P65726 P71585						
50989030	NS(=O)(=O)c1ccc(s1)-c1ncc(Cl)c(Nc2cc([nH]n2)C2CC2)n1	InChI=1S/C14H13ClN6O2S2/c15-8-6-17-14(10-3-4-12(24-10)25(16,22)23)19-13(8)18-11-5-9(20-21-11)7-1-2-7/h3-7H,1-2H2,(H2,16,22,23)(H2,17,18,19,20,21)	KRMDPWLIHGQVGZ-UHFFFAOYSA-N	50279763	CHEMBL4162308	Serine/threonine-protein kinase PknA		 9.0								ChEMBL	10.1021/acsmedchemlett.7b00239	10.7270/Q2183910	29259738			Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U	Vertex Pharmaceuticals Inc	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279763	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007605&target=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279763&enzyme=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search	CJJ	6B2P,6B2Q	50898364	104121467							1	MSPRVGVTLSGRYRLQRLIATGGMGQVWEAVDNRLGRRVAVKVLKSEFSSDPEFIERFRAEARTTAMLNHPGIASVHDYGESQMNGEGRTAYLVMELVNGEPLNSVLKRTGRLSLRHALDMLEQTGRALQIAHAAGLVHRDVKPGNILITPTGQVKITDFGIAKAVDAAPVTQTGMVMGTAQYIAPEQALGHDASPASDVYSLGVVGYEAVSGKRPFAGDGALTVAMKHIKEPPPPLPPDLPPNVRELIEITLVKNPAMRYRSGGPFADAVAAVRAGRRPPRPSQTPPPGRAAPAAIPSGTTARVAANSAGRTAASRRSRPATGGHRPPRRTFSSGQRALLWAAGVLGALAIIIAVLLVIKAPGDNSPQQAPTPTVTTTGNPPASNTGGTDASPRLNWTERGETRHSGLQSWVVPPTPHSRASLARYEIAQ	4OW8,4X3F,6B2Q	Serine/threonine-protein kinase PknA	PKNA_MYCTU	P9WI83	L0T594 P65726 P71585						
50989032	NS(=O)(=O)c1ccc(s1)-c1nccc(Nc2cc([nH]n2)C2CC2)n1	InChI=1S/C14H14N6O2S2/c15-24(21,22)13-4-3-10(23-13)14-16-6-5-11(18-14)17-12-7-9(19-20-12)8-1-2-8/h3-8H,1-2H2,(H2,15,21,22)(H2,16,17,18,19,20)	RQBXIYXQKQNKEN-UHFFFAOYSA-N	50279743	CHEMBL4170479	Serine/threonine-protein kinase PknA		 18								ChEMBL	10.1021/acsmedchemlett.7b00239	10.7270/Q2183910	29259738			Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U	Vertex Pharmaceuticals Inc	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279743	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007605&target=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279743&enzyme=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search			50943864	406793955							1	MSPRVGVTLSGRYRLQRLIATGGMGQVWEAVDNRLGRRVAVKVLKSEFSSDPEFIERFRAEARTTAMLNHPGIASVHDYGESQMNGEGRTAYLVMELVNGEPLNSVLKRTGRLSLRHALDMLEQTGRALQIAHAAGLVHRDVKPGNILITPTGQVKITDFGIAKAVDAAPVTQTGMVMGTAQYIAPEQALGHDASPASDVYSLGVVGYEAVSGKRPFAGDGALTVAMKHIKEPPPPLPPDLPPNVRELIEITLVKNPAMRYRSGGPFADAVAAVRAGRRPPRPSQTPPPGRAAPAAIPSGTTARVAANSAGRTAASRRSRPATGGHRPPRRTFSSGQRALLWAAGVLGALAIIIAVLLVIKAPGDNSPQQAPTPTVTTTGNPPASNTGGTDASPRLNWTERGETRHSGLQSWVVPPTPHSRASLARYEIAQ	4OW8,4X3F,6B2Q	Serine/threonine-protein kinase PknA	PKNA_MYCTU	P9WI83	L0T594 P65726 P71585						
50989035	Cc1cnc(nc1Nc1cc([nH]n1)C1CC1)-c1ccc(s1)S(N)(=O)=O	InChI=1S/C15H16N6O2S2/c1-8-7-17-15(11-4-5-13(24-11)25(16,22)23)19-14(8)18-12-6-10(20-21-12)9-2-3-9/h4-7,9H,2-3H2,1H3,(H2,16,22,23)(H2,17,18,19,20,21)	JOLXSDWLLOKVDT-UHFFFAOYSA-N	50279773	CHEMBL4173915	Serine/threonine-protein kinase PknA		 18								ChEMBL	10.1021/acsmedchemlett.7b00239	10.7270/Q2183910	29259738			Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U	Vertex Pharmaceuticals Inc	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279773	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007605&target=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279773&enzyme=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search			50943377	104121477						ZINC36271145	1	MSPRVGVTLSGRYRLQRLIATGGMGQVWEAVDNRLGRRVAVKVLKSEFSSDPEFIERFRAEARTTAMLNHPGIASVHDYGESQMNGEGRTAYLVMELVNGEPLNSVLKRTGRLSLRHALDMLEQTGRALQIAHAAGLVHRDVKPGNILITPTGQVKITDFGIAKAVDAAPVTQTGMVMGTAQYIAPEQALGHDASPASDVYSLGVVGYEAVSGKRPFAGDGALTVAMKHIKEPPPPLPPDLPPNVRELIEITLVKNPAMRYRSGGPFADAVAAVRAGRRPPRPSQTPPPGRAAPAAIPSGTTARVAANSAGRTAASRRSRPATGGHRPPRRTFSSGQRALLWAAGVLGALAIIIAVLLVIKAPGDNSPQQAPTPTVTTTGNPPASNTGGTDASPRLNWTERGETRHSGLQSWVVPPTPHSRASLARYEIAQ	4OW8,4X3F,6B2Q	Serine/threonine-protein kinase PknA	PKNA_MYCTU	P9WI83	L0T594 P65726 P71585						
50989043	Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)N1CCCCCC1	InChI=1S/C20H23ClN6/c21-14-7-8-16-15(11-14)19(23-18-12-17(25-26-18)13-5-6-13)24-20(22-16)27-9-3-1-2-4-10-27/h7-8,11-13H,1-6,9-10H2,(H2,22,23,24,25,26)	MYUNZVDJOMININ-UHFFFAOYSA-N	50279799	CHEMBL4164081	Serine/threonine-protein kinase PknA		>33000								ChEMBL	10.1021/acsmedchemlett.7b00239	10.7270/Q2183910	29259738			Wang, T; Bemis, G; Hanzelka, B; Zuccola, H; Wynn, M; Moody, CS; Green, J; Locher, C; Liu, A; Gao, H; Xu, Y; Wang, S; Wang, J; Bennani, YL; Thomson, JA; Müh, U	Vertex Pharmaceuticals Inc	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50279799	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007605&target=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50279799&enzyme=Serine%2Fthreonine-protein+kinase+PknA&column=ki&startPg=0&Increment=50&submit=Search			134816642	104121503							1	MSPRVGVTLSGRYRLQRLIATGGMGQVWEAVDNRLGRRVAVKVLKSEFSSDPEFIERFRAEARTTAMLNHPGIASVHDYGESQMNGEGRTAYLVMELVNGEPLNSVLKRTGRLSLRHALDMLEQTGRALQIAHAAGLVHRDVKPGNILITPTGQVKITDFGIAKAVDAAPVTQTGMVMGTAQYIAPEQALGHDASPASDVYSLGVVGYEAVSGKRPFAGDGALTVAMKHIKEPPPPLPPDLPPNVRELIEITLVKNPAMRYRSGGPFADAVAAVRAGRRPPRPSQTPPPGRAAPAAIPSGTTARVAANSAGRTAASRRSRPATGGHRPPRRTFSSGQRALLWAAGVLGALAIIIAVLLVIKAPGDNSPQQAPTPTVTTTGNPPASNTGGTDASPRLNWTERGETRHSGLQSWVVPPTPHSRASLARYEIAQ	4OW8,4X3F,6B2Q	Serine/threonine-protein kinase PknA	PKNA_MYCTU	P9WI83	L0T594 P65726 P71585