Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50176115
Substrate
n/a
Meas. Tech.
ChEMBL_321394 (CHEMBL880629)
IC50
21±n/a nM
Citation
 Barreca, ML; Ferro, S; Rao, A; De Luca, L; Zappalà, M; Monforte, AM; Debyser, Z; Witvrouw, M; Chimirri, A Pharmacophore-based design of HIV-1 integrase strand-transfer inhibitors. J Med Chem 48:7084-8 (2005) [PubMed]  Article 
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:
BDBM50176115
Synonyms:
(Z)-4-(1-Benzyl-5-methoxy-1H-indol-3-yl)-2-hydroxy-4-oxo-but-2-enoic acid | CHEMBL196689
Type:
Small organic molecule
Emp. Form.:
C20H17NO5
Mol. Mass.:
351.3527
SMILES:
COc1ccc2n(Cc3ccccc3)cc(C(=O)CC(=O)C(O)=O)c2c1
Structure:
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