Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50479060
Substrate
n/a
Meas. Tech.
ChEMBL_509633 (CHEMBL1003961)
IC50
35500±n/a nM
Citation
 Zeng, LF; Jiang, XH; Sanchez, T; Zhang, HS; Dayam, R; Neamati, N; Long, YQ Novel dimeric aryldiketo containing inhibitors of HIV-1 integrase: effects of the phenyl substituent and the linker orientation. Bioorg Med Chem 16:7777-87 (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:
BDBM50479060
Synonyms:
CHEMBL469070
Type:
Small organic molecule
Emp. Form.:
C26H24F2N2O6
Mol. Mass.:
498.4754
SMILES:
Fc1ccc(cc1)C(=O)CC(=O)C(=O)NC1CCC(CC1)NC(=O)C(=O)CC(=O)c1ccc(F)cc1 |(8.82,-41.88,;10.15,-42.65,;11.48,-41.88,;12.81,-42.65,;12.81,-44.19,;11.49,-44.96,;10.16,-44.2,;14.14,-44.96,;14.14,-46.5,;15.47,-44.19,;16.81,-44.96,;16.82,-46.51,;18.15,-44.19,;18.15,-42.65,;19.48,-44.96,;20.8,-44.15,;22.14,-44.88,;23.46,-44.08,;23.42,-42.55,;22.07,-41.81,;20.74,-42.61,;24.73,-41.75,;24.69,-40.21,;23.34,-39.46,;26.01,-39.4,;27.36,-40.13,;25.96,-37.86,;27.28,-37.05,;28.63,-37.79,;27.24,-35.51,;28.55,-34.72,;28.52,-33.19,;27.16,-32.46,;27.13,-30.92,;25.85,-33.26,;25.89,-34.8,)|
Structure:
Search PDB for entries with ligand similarity: