Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50085434
Substrate
n/a
Meas. Tech.
ChEBML_90573
IC50
88000±n/a nM
Citation
 Singh, SB; Felock, P; Hazuda, DJ Chemical and enzymatic modifications of integric acid and HIV-1 integrase inhibitory activity. Bioorg Med Chem Lett 10:235-8 (2000) [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:
BDBM50085434
Synonyms:
(E)-2,4-Dimethyl-oct-2-enoic acid (1R,4S,4aR,6S)-4-(N,N'-dicyclohexyl-carbamimidoyloxycarbonyl)-6-(1-formyl-vinyl)-4a-methyl-7-oxo-1,2,3,4,4a,5,6,7-octahydro-naphthalen-1-yl ester | CHEMBL306576
Type:
Small organic molecule
Emp. Form.:
C38H56N2O6
Mol. Mass.:
636.861
SMILES:
CCCCC(C)\C=C(/C)C(=O)O[C@@H]1CC[C@H](C(=O)OC(NC2CCCCC2)=NC2CCCCC2)[C@@]2(C)CC(=C(C)C=O)C(=O)C=C12 |w:38.40,27.28,t:46|
Structure:
Search PDB for entries with ligand similarity: