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
50711734	Oc1cc2oc3cc(=O)c(O)cc3c(-c3ccccc3O)c2cc1O	InChI=1S/C19H12O6/c20-12-4-2-1-3-9(12)19-10-5-13(21)15(23)7-17(10)25-18-8-16(24)14(22)6-11(18)19/h1-8,20-23H	GRWQEXZZWRVXDZ-UHFFFAOYSA-N	51252	2,6,7-trihydroxy-9-(2-hydroxyphenyl)-3-xanthenone::2,6,7-trihydroxy-9-(2-hydroxyphenyl)fluorone::2,6,7-trihydroxy-9-(2-hydroxyphenyl)xanthen-3-one::9-(2-hydroxyphenyl)-2,6,7-tris(oxidanyl)xanthen-3-one::MLS000737903::SMR000528081::cid_72722	dTDP-4-dehydrorhamnose reductase	Mycobacterium tuberculosis		 2100							ChEMBL	10.1016/j.bmcl.2011.09.094	10.7270/Q2RB752H	22014548			Wang, Y; Hess, TN; Jones, V; Zhou, JZ; McNeil, MR; Andrew McCammon, J	University of California	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=51252	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004911&target=dTDP-4-dehydrorhamnose+reductase&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=51252&enzyme=dTDP-4-dehydrorhamnose+reductase&column=ki&startPg=0&Increment=50&submit=Search			72722	252631482						ZINC13597410	1	MAGRSERLVITGAGGQLGSHLTAQAAREGRDMLALTSSQWDITDPAAAERIIRHGDVVINCAAYTDVDGAESNEAVAYAVNATGPQHLARACARVGARLIHVSTDYVFDGDFGGAEPRPYEPTDETAPQGVYARSKLAGEQAVLAAFPEAAVVRTAWVYTGGTGKDFVAVMRRLAAGHGRVDVVDDQTGSPTYVADLAEALLALADAGVRGRVLHAANEGVVSRFGQARAVFEECGADPQRVRPVSSAQFPRPAPRSSYSALSSRQWALAGLTPLRHWRSALATALAAPANSTSIDRRLPSTRD		dTDP-4-dehydrorhamnose reductase	RMLD_MYCTU	P9WH09	L0TEU1 P96871 Q7D5T1						
50711735	Oc1cc2oc3cc(=O)c(O)cc3c(-c3ccccc3)c2cc1O	InChI=1S/C19H12O5/c20-13-6-11-17(8-15(13)22)24-18-9-16(23)14(21)7-12(18)19(11)10-4-2-1-3-5-10/h1-9,20-22H	YDCFOUBAMGLLKA-UHFFFAOYSA-N	50206442	2,6,7-trihydroxy-9-phenyl-3H-xanthen-3-one::CHEMBL375328::cid_70420	dTDP-4-dehydrorhamnose reductase	Mycobacterium tuberculosis		 900							ChEMBL	10.1016/j.bmcl.2011.09.094	10.7270/Q2RB752H	22014548			Wang, Y; Hess, TN; Jones, V; Zhou, JZ; McNeil, MR; Andrew McCammon, J	University of California	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50206442	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004911&target=dTDP-4-dehydrorhamnose+reductase&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50206442&enzyme=dTDP-4-dehydrorhamnose+reductase&column=ki&startPg=0&Increment=50&submit=Search			70420	104084522		CHEMBL375328				ZINC03860685	1	MAGRSERLVITGAGGQLGSHLTAQAAREGRDMLALTSSQWDITDPAAAERIIRHGDVVINCAAYTDVDGAESNEAVAYAVNATGPQHLARACARVGARLIHVSTDYVFDGDFGGAEPRPYEPTDETAPQGVYARSKLAGEQAVLAAFPEAAVVRTAWVYTGGTGKDFVAVMRRLAAGHGRVDVVDDQTGSPTYVADLAEALLALADAGVRGRVLHAANEGVVSRFGQARAVFEECGADPQRVRPVSSAQFPRPAPRSSYSALSSRQWALAGLTPLRHWRSALATALAAPANSTSIDRRLPSTRD		dTDP-4-dehydrorhamnose reductase	RMLD_MYCTU	P9WH09	L0TEU1 P96871 Q7D5T1						
50711736	Cc1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12	InChI=1S/C14H10O5/c1-6-7-2-9(15)11(17)4-13(7)19-14-5-12(18)10(16)3-8(6)14/h2-5,15-17H,1H3	TZVNNUHRZXQCHM-UHFFFAOYSA-N	50056938	2,6,7-Trihydroxy-9-methyl-xanthen-3-one::CHEMBL175266::NSC-66209::cid_72721	dTDP-4-dehydrorhamnose reductase	Mycobacterium tuberculosis		 15000							ChEMBL	10.1016/j.bmcl.2011.09.094	10.7270/Q2RB752H	22014548			Wang, Y; Hess, TN; Jones, V; Zhou, JZ; McNeil, MR; Andrew McCammon, J	University of California	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50056938	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004911&target=dTDP-4-dehydrorhamnose+reductase&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50056938&enzyme=dTDP-4-dehydrorhamnose+reductase&column=ki&startPg=0&Increment=50&submit=Search			72721	103953068		CHEMBL175266				ZINC04015433	1	MAGRSERLVITGAGGQLGSHLTAQAAREGRDMLALTSSQWDITDPAAAERIIRHGDVVINCAAYTDVDGAESNEAVAYAVNATGPQHLARACARVGARLIHVSTDYVFDGDFGGAEPRPYEPTDETAPQGVYARSKLAGEQAVLAAFPEAAVVRTAWVYTGGTGKDFVAVMRRLAAGHGRVDVVDDQTGSPTYVADLAEALLALADAGVRGRVLHAANEGVVSRFGQARAVFEECGADPQRVRPVSSAQFPRPAPRSSYSALSSRQWALAGLTPLRHWRSALATALAAPANSTSIDRRLPSTRD		dTDP-4-dehydrorhamnose reductase	RMLD_MYCTU	P9WH09	L0TEU1 P96871 Q7D5T1						
50711737	Cc1c(O)ccc-2c1CCc1cc(O)cc(C=C)c-21	InChI=1S/C17H16O2/c1-3-11-8-13(18)9-12-4-5-14-10(2)16(19)7-6-15(14)17(11)12/h3,6-9,18-19H,1,4-5H2,2H3	GEXAPRXWKRZPCK-UHFFFAOYSA-N	50180512	1-methyl-5-vinyl-9,10-dihydrophenanthrene-2,7-diol::CHEMBL205119	dTDP-4-dehydrorhamnose reductase	Mycobacterium tuberculosis		 25000							ChEMBL	10.1016/j.bmcl.2011.09.094	10.7270/Q2RB752H	22014548			Wang, Y; Hess, TN; Jones, V; Zhou, JZ; McNeil, MR; Andrew McCammon, J	University of California	http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180512	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004911&target=dTDP-4-dehydrorhamnose+reductase&column=ki&startPg=0&Increment=50&submit=Search	http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180512&enzyme=dTDP-4-dehydrorhamnose+reductase&column=ki&startPg=0&Increment=50&submit=Search			100801	104065592		CHEMBL205119				ZINC01588038	1	MAGRSERLVITGAGGQLGSHLTAQAAREGRDMLALTSSQWDITDPAAAERIIRHGDVVINCAAYTDVDGAESNEAVAYAVNATGPQHLARACARVGARLIHVSTDYVFDGDFGGAEPRPYEPTDETAPQGVYARSKLAGEQAVLAAFPEAAVVRTAWVYTGGTGKDFVAVMRRLAAGHGRVDVVDDQTGSPTYVADLAEALLALADAGVRGRVLHAANEGVVSRFGQARAVFEECGADPQRVRPVSSAQFPRPAPRSSYSALSSRQWALAGLTPLRHWRSALATALAAPANSTSIDRRLPSTRD		dTDP-4-dehydrorhamnose reductase	RMLD_MYCTU	P9WH09	L0TEU1 P96871 Q7D5T1