Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50422703
Substrate
n/a
Meas. Tech.
ChEMBL_307268 (CHEMBL831653)
IC50
380±n/a nM
Citation
 Verschueren, WG; Dierynck, I; Amssoms, KI; Hu, L; Boonants, PM; Pille, GM; Daeyaert, FF; Hertogs, K; Surleraux, DL; Wigerinck, PB Design and optimization of tricyclic phtalimide analogues as novel inhibitors of HIV-1 integrase. J Med Chem 48:1930-40 (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:
BDBM50422703
Synonyms:
CHEMBL366982
Type:
Small organic molecule
Emp. Form.:
C18H11BrN2O4
Mol. Mass.:
399.195
SMILES:
Oc1c2C(=O)N(Cc3cccc(Br)c3)C(=O)c2c(O)c2ncccc12
Structure:
Search PDB for entries with ligand similarity: