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Target
Integrase
Ligand
BDBM188497
Substrate
n/a
Meas. Tech.
ChEMBL_1834388 (CHEMBL4334396)
IC50
150±n/a nM
Citation
 Wilson, TA; Koneru, PC; Rebensburg, SV; Lindenberger, JJ; Kobe, MJ; Cockroft, NT; Adu-Ampratwum, D; Larue, RC; Kvaratskhelia, M; Fuchs, JR An Isoquinoline Scaffold as a Novel Class of Allosteric HIV-1 Integrase Inhibitors. ACS Med Chem Lett 10:215-220 (2019) [PubMed]  Article 
Target
Name:
Integrase
Synonyms:
pol
Type:
PROTEIN
Mol. Mass.:
32203.43
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_106649
Residue:
288
Sequence:
FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM188497
Synonyms:
2-(6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl)-2-(tert-butoxy)acetic acid | ALLINI-2
Type:
Small organic molecule
Emp. Form.:
C22H21BrClNO3
Mol. Mass.:
462.764
SMILES:
Cc1nc2ccc(Br)cc2c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(O)=O
Structure:
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