BDBM92494 Citrate::SODIUM CITRATE

SMILES: OC(CC([O-])=O)(CC([O-])=O)C([O-])=O

InChI Key: InChIKey=KRKNYBCHXYNGOX-UHFFFAOYSA-K

Data: 7 KI  1 Kd  1 ITC

PDB links: 561 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 92494   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM92494 (Citrate | SODIUM CITRATE) Show SMILES OC(CC([O-])=O)(CC([O-])=O)C([O-])=O Show InChI InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Binding affinity against human cytosolic Carbonic anhydrase IV				Bioorg Med Chem Lett 15: 573-8 (2005) Article DOI: 10.1016/j.bmcl.2004.11.057 BindingDB Entry DOI: 10.7270/Q2TH8M6D
					More data for this Ligand-Target Pair
beta-Carbonic Anhydrase (Candida albicans (Yeast))	BDBM92494 (Citrate | SODIUM CITRATE) Show SMILES OC(CC([O-])=O)(CC([O-])=O)C([O-])=O Show InChI InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	3.91E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of Candida albicans Nce103				Bioorg Med Chem 17: 2654-7 (2009) Article DOI: 10.1016/j.bmc.2009.02.058 BindingDB Entry DOI: 10.7270/Q2TD9X8C
					More data for this Ligand-Target Pair
β-Carbonic anhydrase (CA1) (Flaveria bidentis (Coastal plain yellowtops))	BDBM92494 (Citrate | SODIUM CITRATE) Show SMILES OC(CC([O-])=O)(CC([O-])=O)C([O-])=O Show InChI InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3	GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	4.14E+4	-5.87	n/a	n/a	n/a	n/a	n/a	8.3	20
Istituto di Biostrutture e Bioimmagini-CNR					Assay Description Inhibition constants of carboxylate inhibitors against F. bidentis CA I were determined by a stopped flow CO2 hydration assay at 20 °C.				J Enzyme Inhib Med Chem 29: 500-4 (2014) Article DOI: 10.3109/14756366.2013.813942 BindingDB Entry DOI: 10.7270/Q2WD3ZGT
					More data for this Ligand-Target Pair
Carbonic Anhydrase VA (Homo sapiens (Human))	BDBM92494 (Citrate | SODIUM CITRATE) Show SMILES OC(CC([O-])=O)(CC([O-])=O)C([O-])=O Show InChI InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	1.67E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Binding affinity against human cytosolic Carbonic anhydrase V				Bioorg Med Chem Lett 15: 573-8 (2005) Article DOI: 10.1016/j.bmcl.2004.11.057 BindingDB Entry DOI: 10.7270/Q2TH8M6D
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM92494 (Citrate | SODIUM CITRATE) Show SMILES OC(CC([O-])=O)(CC([O-])=O)C([O-])=O Show InChI InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	2.16E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Binding affinity against human cytosolic Carbonic anhydrase II				Bioorg Med Chem Lett 15: 573-8 (2005) Article DOI: 10.1016/j.bmcl.2004.11.057 BindingDB Entry DOI: 10.7270/Q2TH8M6D
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM92494 (Citrate | SODIUM CITRATE) Show SMILES OC(CC([O-])=O)(CC([O-])=O)C([O-])=O Show InChI InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	2.16E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase2				Bioorg Med Chem 17: 2654-7 (2009) Article DOI: 10.1016/j.bmc.2009.02.058 BindingDB Entry DOI: 10.7270/Q2TD9X8C
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM92494 (Citrate | SODIUM CITRATE) Show SMILES OC(CC([O-])=O)(CC([O-])=O)C([O-])=O Show InChI InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	4.93E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Binding affinity against human cytosolic Carbonic anhydrase IX				Bioorg Med Chem Lett 15: 573-8 (2005) Article DOI: 10.1016/j.bmcl.2004.11.057 BindingDB Entry DOI: 10.7270/Q2TH8M6D
					More data for this Ligand-Target Pair
Methyl-accepting chemotaxis protein (McpS) (Pseudomonas putida (Arthrobacter siderocapsulatus))	BDBM92494 (Citrate | SODIUM CITRATE) Show SMILES OC(CC([O-])=O)(CC([O-])=O)C([O-])=O Show InChI InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	1.09E+5	n/a	n/a	n/a	n/a	20
CSIC					Assay Description Measurements were done on a VP-microcalorimeter (MicroCal, Amherst, MA).				J Biol Chem 285: 23126-36 (2010) Article DOI: 10.1074/jbc.M110.110403 BindingDB Entry DOI: 10.7270/Q2K64GNS
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 92494

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Methyl-accepting chemotaxis protein (McpS) (Pseudomonas putida (Arthrobacter siderocapsulatus))	BDBM92494 (Citrate | SODIUM CITRATE)	GoogleScholar	CHEBI KEGG PC cid PC sid PDB		-5.31	4.20	-9.31	3.96	n/a	20
CSIC					J Biol Chem 285: 23126-36 (2010)