BindingDB PrimarySearch

BDBM14672 2-hydroxypropane-1,2,3-tricarboxylic acid::CHEMBL1261::CITRIC ACID::Citrate::Citric Acid::Fragment 2::cid_311

SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O

InChI Key: InChIKey=KRKNYBCHXYNGOX-UHFFFAOYSA-N

Data: 1 KI 6 IC50 2 Kd

PDB links: 1262 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 14672
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Beta-lactamase (Bacillus licheniformis)	BDBM14672 (2-hydroxypropane-1,2,3-tricarboxylic acid \| CHEMBL...) Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O Show InChI	PDB MMDB UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of Bacillus licheniformis BS3 beta-lactamase at pH 5				Bioorg Med Chem Lett 19: 3593-7 (2009) Article DOI: 10.1016/j.bmcl.2009.04.149 BindingDB Entry DOI: 10.7270/Q2W9597J
Universit£ Catholique de Louvain Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Hepatocyte nuclear factor 4-alpha (Homo sapiens (Human))	BDBM14672 (2-hydroxypropane-1,2,3-tricarboxylic acid \| CHEMBL...) Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	>3.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2736PH3
					More data for this Ligand-Target Pair
perilipin-1 (Homo sapiens (Human))	BDBM14672 (2-hydroxypropane-1,2,3-tricarboxylic acid \| CHEMBL...) Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	3.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2CV4GBF
					More data for this Ligand-Target Pair
perilipin-5 (Homo sapiens (Human))	BDBM14672 (2-hydroxypropane-1,2,3-tricarboxylic acid \| CHEMBL...) Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	5.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q24B2ZW9
					More data for this Ligand-Target Pair
Prolyl 4-hydroxylase (Paramecium bursaria Chlorella virus 1)	BDBM14672 (2-hydroxypropane-1,2,3-tricarboxylic acid \| CHEMBL...) Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar	Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.13E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant Paramecium bursaria chlorella virus 1 CPH expressed in Escherichia coli Rosetta 2 (DE3) cells pre-in...				Bioorg Med Chem 27: 2405-2412 (2019) Article DOI: 10.1016/j.bmc.2019.01.018
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
3-dehydroquinate dehydratase (Streptomyces coelicolor)	BDBM14672 (2-hydroxypropane-1,2,3-tricarboxylic acid \| CHEMBL...) Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Binding affinity for Streptomyces coelicolor DHQase 2				J Med Chem 49: 1282-90 (2006) Article DOI: 10.1021/jm0505361 BindingDB Entry DOI: 10.7270/Q27P8XZF
University of Glasgow Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-ketoglutarate-dependent dioxygenase FTO (Homo sapiens (Human))	BDBM14672 (2-hydroxypropane-1,2,3-tricarboxylic acid \| CHEMBL...) Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human hexahistidine-tagged full-length FTO expressed in Escherichia coli BL21 (DE3) using 3-methylthymidine as substrate assessed as in...				J Med Chem 56: 3680-8 (2013) Article DOI: 10.1021/jm400193d BindingDB Entry DOI: 10.7270/Q21V5GBQ
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (aa 145-252) (Homo sapiens (Human))	BDBM14672 (2-hydroxypropane-1,2,3-tricarboxylic acid \| CHEMBL...) Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O Show InChI	PDB MMDB DrugBank GoogleScholar	Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	>4.00E+7	n/a	n/a	n/a	n/a	7.4	22
Aventis Pharma					Assay Description SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein imm...				J Med Chem 46: 5184-95 (2003) Article DOI: 10.1021/jm020970s BindingDB Entry DOI: 10.7270/Q2XW4H14
Aventis Pharma					More data for this Ligand-Target Pair				3D Structure (crystal)
3-dehydroquinate dehydratase (Helicobacter pylori)	BDBM14672 (2-hydroxypropane-1,2,3-tricarboxylic acid \| CHEMBL...) Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEBI CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a
University of Glasgow Curated by ChEMBL					Assay Description Binding affinity for Helicobacter pylori DHQase 2				J Med Chem 49: 1282-90 (2006) Article DOI: 10.1021/jm0505361 BindingDB Entry DOI: 10.7270/Q27P8XZF
University of Glasgow Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)