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
245738	C[C@@]12Cc3cc4OCOc4cc3-c3cccc(CCN1)c23	InChI=1S/C18H17NO2/c1-18-9-12-7-15-16(21-10-20-15)8-14(12)13-4-2-3-11(17(13)18)5-6-19-18/h2-4,7-8,19H,5-6,9-10H2,1H3/t18-/m0/s1	GKWGIBLPKAPAGI-SFHVURJKSA-N	119110	MurE inhibitor (compound 52)	UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase			 6.7e+4							Curated from the literature by BindingDB	10.1016/j.bioorg.2014.03.008	10.7270/Q2ZG6QWR	24755374			Hrast, M; Sosic, I; Sink, R; Gobec, S	University of Ljubljana, Aškerceva 7, 1000 Ljubljana, Slovenia	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=119110	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6073&target=UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2%2C6-diaminopimelate+ligase&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=119110&enzyme=UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2%2C6-diaminopimelate+ligase&column=ki&startPg=0&Increment=50&submit=Search			84973008	220229926							1	MSSLARGISRRRTEVATQVEAAPTGLRPNAVVGVRLAALADQVGAALAEGPAQRAVTEDRTVTGVTLRAQDVSPGDLFAALTGSTTHGARHVGDAIARGAVAVLTDPAGVAEIAGRAAVPVLVHPAPRGVLGGLAATVYGHPSERLTVIGITGTSGKTTTTYLVEAGLRAAGRVAGLIGTIGIRVGGADLPSALTTPEAPTLQAMLAAMVERGVDTVVMEVSSHALALGRVDGTRFAVGAFTNLSRDHLDFHPSMADYFEAKASLFDPDSALRARTAVVCIDDDAGRAMAARAADAITVSAADRPAHWRATDVAPTDAGGQQFTAIDPAGVGHHIGIRLPGRYNVANCLVALAILDTVGVSPEQAVPGLREIRVPGRLEQIDRGQGFLALVDYAHKPEALRSVLTTLAHPDRRLAVVFGAGGDRDPGKRAPMGRIAAQLADLVVVTDDNPRDEDPTAIRREILAGAAEVGGDAQVVEIADRRDAIRHAVAWARPGDVVLIAGKGHETGQRGGGRVRPFDDRVELAAALEALERRA	2WTZ,2XJA	UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase	MURE_MYCTU	P9WJL3	L0T8S9 O06219 P65477						
245739	CC(C)C(=O)c1c(O)cc(O)cc1OC\C=C(\C)CCC=C(C)C	InChI=1S/C20H28O4/c1-13(2)7-6-8-15(5)9-10-24-18-12-16(21)11-17(22)19(18)20(23)14(3)4/h7,9,11-12,14,21-22H,6,8,10H2,1-5H3/b15-9-	RDVNGNVGNNWVTM-DHDCSXOGSA-N	119111	MurE inhibitor (compound 53)	UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase			 7.5e+4							Curated from the literature by BindingDB	10.1016/j.bioorg.2014.03.008	10.7270/Q2ZG6QWR	24755374			Hrast, M; Sosic, I; Sink, R; Gobec, S	University of Ljubljana, Aškerceva 7, 1000 Ljubljana, Slovenia	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=119111	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6073&target=UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2%2C6-diaminopimelate+ligase&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=119111&enzyme=UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2%2C6-diaminopimelate+ligase&column=ki&startPg=0&Increment=50&submit=Search			84973009	220229927							1	MSSLARGISRRRTEVATQVEAAPTGLRPNAVVGVRLAALADQVGAALAEGPAQRAVTEDRTVTGVTLRAQDVSPGDLFAALTGSTTHGARHVGDAIARGAVAVLTDPAGVAEIAGRAAVPVLVHPAPRGVLGGLAATVYGHPSERLTVIGITGTSGKTTTTYLVEAGLRAAGRVAGLIGTIGIRVGGADLPSALTTPEAPTLQAMLAAMVERGVDTVVMEVSSHALALGRVDGTRFAVGAFTNLSRDHLDFHPSMADYFEAKASLFDPDSALRARTAVVCIDDDAGRAMAARAADAITVSAADRPAHWRATDVAPTDAGGQQFTAIDPAGVGHHIGIRLPGRYNVANCLVALAILDTVGVSPEQAVPGLREIRVPGRLEQIDRGQGFLALVDYAHKPEALRSVLTTLAHPDRRLAVVFGAGGDRDPGKRAPMGRIAAQLADLVVVTDDNPRDEDPTAIRREILAGAAEVGGDAQVVEIADRRDAIRHAVAWARPGDVVLIAGKGHETGQRGGGRVRPFDDRVELAAALEALERRA	2WTZ,2XJA	UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase	MURE_MYCTU	P9WJL3	L0T8S9 O06219 P65477						
51521135	CC[C@H](C)C(=O)c1c(O)cc(O)cc1OC\C=C(/C)CCC=C(C)C	InChI=1S/C21H30O4/c1-6-16(5)21(24)20-18(23)12-17(22)13-19(20)25-11-10-15(4)9-7-8-14(2)3/h8,10,12-13,16,22-23H,6-7,9,11H2,1-5H3/b15-10+/t16-/m0/s1	UMIJNJJRYSRDPG-KMPOOHAWSA-N	50027673	Olympicin A	UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase			 75000							ChEMBL		10.7270/Q27S7T1R	36731248			n/a	n/a	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50027673	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6073&target=UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2%2C6-diaminopimelate+ligase&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50027673&enzyme=UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2%2C6-diaminopimelate+ligase&column=ki&startPg=0&Increment=50&submit=Search			57380109	103937142						ZINC27897663	1	MSSLARGISRRRTEVATQVEAAPTGLRPNAVVGVRLAALADQVGAALAEGPAQRAVTEDRTVTGVTLRAQDVSPGDLFAALTGSTTHGARHVGDAIARGAVAVLTDPAGVAEIAGRAAVPVLVHPAPRGVLGGLAATVYGHPSERLTVIGITGTSGKTTTTYLVEAGLRAAGRVAGLIGTIGIRVGGADLPSALTTPEAPTLQAMLAAMVERGVDTVVMEVSSHALALGRVDGTRFAVGAFTNLSRDHLDFHPSMADYFEAKASLFDPDSALRARTAVVCIDDDAGRAMAARAADAITVSAADRPAHWRATDVAPTDAGGQQFTAIDPAGVGHHIGIRLPGRYNVANCLVALAILDTVGVSPEQAVPGLREIRVPGRLEQIDRGQGFLALVDYAHKPEALRSVLTTLAHPDRRLAVVFGAGGDRDPGKRAPMGRIAAQLADLVVVTDDNPRDEDPTAIRREILAGAAEVGGDAQVVEIADRRDAIRHAVAWARPGDVVLIAGKGHETGQRGGGRVRPFDDRVELAAALEALERRA	2WTZ,2XJA	UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase	MURE_MYCTU	P9WJL3	L0T8S9 O06219 P65477