Affinity Data by PDB ID

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PDB code 4OQV

Identical Ligands in BindingDB

Found 4 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Dihydroorotate Dehydrogenase (DHODH) (324/364 = 89%)^† (Rattus norvegicus (rat))	BDBM50018006 (CHEMBL3289672 \| US9238653, Table 5, Compound 49) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center at Dallas Curated by ChEMBL					Assay Description Inhibition of rat DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid production using dihydroorot...				J Med Chem 57: 5381-94 (2014)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (321/364 = 88%)^† (Mus musculus)	BDBM50018006 (CHEMBL3289672 \| US9238653, Table 5, Compound 49) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center at Dallas Curated by ChEMBL					Assay Description Inhibition of mouse DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid production using dihydroor...				J Med Chem 57: 5381-94 (2014)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (364/364 = 100%)^† (Homo sapiens (Human))	BDBM50018006 (CHEMBL3289672 \| US9238653, Table 5, Compound 49) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center at Dallas Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged human DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid pro...				J Med Chem 57: 5381-94 (2014)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydroorotate dehydrogenase (364/364 = 100%)^† (Homo sapiens (Human))	BDBM50018006 (CHEMBL3289672 \| US9238653, Table 5, Compound 49) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Medical Center at Dallas Curated by ChEMBL					Assay Description Inhibition of C-terminal His6-tagged human DHODH (amino acid residues 30 to 396) expressed in Escherichia coli BL21 cells assessed as orotic acid pro...				J Med Chem 57: 5381-94 (2014)
					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output