Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50187771
Substrate
n/a
Meas. Tech.
ChEMBL_378127 (CHEMBL869776)
IC50
7.2±n/a nM
Citation
 Metobo, SE; Jin, H; Tsiang, M; Kim, CU Design, synthesis, and biological evaluation of novel tricyclic HIV-1 integrase inhibitors by modification of its pyridine ring. Bioorg Med Chem Lett 16:3985-8 (2006) [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:
BDBM50187771
Synonyms:
7-(4-fluorobenzyl)-3-fluoro-9-hydroxy-5-methoxy-6,7-dihydropyrrolo[3,4-g]quinolin-8-one | CHEMBL212213
Type:
Small organic molecule
Emp. Form.:
C19H14F2N2O3
Mol. Mass.:
356.3229
SMILES:
COc1c2CN(Cc3ccc(F)cc3)C(=O)c2c(O)c2ncc(F)cc12
Structure:
Search PDB for entries with ligand similarity: