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Target
Integrase
Ligand
BDBM50115572
Substrate
n/a
Meas. Tech.
ChEMBL_88610 (CHEMBL701714)
IC50
100000±n/a nM
Citation
 Pais, GC; Zhang, X; Marchand, C; Neamati, N; Cowansage, K; Svarovskaia, ES; Pathak, VK; Tang, Y; Nicklaus, M; Pommier, Y; Burke, TR Structure activity of 3-aryl-1,3-diketo-containing compounds as HIV-1 integrase inhibitors. J Med Chem 45:3184-94 (2002) [PubMed]
Target
Name:
Integrase
Synonyms:
Human immunodeficiency virus type 1 integrase
Type:
PROTEIN
Mol. Mass.:
32231.48
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_90865
Residue:
288
Sequence:
FLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPLWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKVKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM50115572
Synonyms:
(Z)-4-(3-Benzyloxy-phenyl)-2-hydroxy-4-oxo-but-2-enoic acid | 4-(3-Benzyloxy-phenyl)-2-hydroxy-4-oxo-but-2-enoic acid | CHEMBL108253 | CHEMBL18927 | CHEMBL492770
Type:
Small organic molecule
Emp. Form.:
C17H14O5
Mol. Mass.:
298.2901
SMILES:
OC(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1
Structure:
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