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Target
Integrase
Ligand
BDBM50187773
Substrate
n/a
Meas. Tech.
ChEMBL_588446 (CHEMBL1040344)
IC50
90±n/a nM
Citation
 Loizidou, EZ; Zeinalipour-Yazdi, CD; Christofides, T; Kostrikis, LG Analysis of binding parameters of HIV-1 integrase inhibitors: correlates of drug inhibition and resistance. Bioorg Med Chem 17:4806-18 (2009) [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:
BDBM50187773
Synonyms:
7-(4-fluorobenzyl)-9-hydroxy-3,5-dimethoxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one | 7-(4-fluorobenzyl)-9-hydroxy-3,5-dimethoxy-6H-pyrrolo[3,4-g]quinolin-8(7H)-one | CHEMBL386055
Type:
Small organic molecule
Emp. Form.:
C20H17FN2O4
Mol. Mass.:
368.3584
SMILES:
COc1cnc2c(O)c3C(=O)N(Cc4ccc(F)cc4)Cc3c(OC)c2c1
Structure:
Search PDB for entries with ligand similarity: