Reaction Details  Report a problem with these data
Target
Integrase
Ligand
BDBM25351
Substrate
n/a
Meas. Tech.
ChEMBL_479724 (CHEMBL921484)
IC50
7.0±n/a nM
Citation
 De Luca, L; Barreca, ML; Ferro, S; Iraci, N; Michiels, M; Christ, F; Debyser, Z; Witvrouw, M; Chimirri, A A refined pharmacophore model for HIV-1 integrase inhibitors: Optimization of potency in the 1H-benzylindole series. Bioorg Med Chem Lett 18:2891-5 (2008) [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:
BDBM25351
Synonyms:
N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide | Raltegravir
Type:
Small organic molecule
Emp. Form.:
C20H21FN6O5
Mol. Mass.:
444.4163
SMILES:
Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
Structure:
Search PDB for entries with ligand similarity: