Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50085432
Substrate
n/a
Meas. Tech.
ChEBML_90573
IC50
40000±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:
BDBM50085432
Synonyms:
(1S,4R,7S,8aR)-7-(2,2-Dihydroxy-1-methyl-ethyl)-4-((E)-2,4-dimethyl-oct-2-enoyloxy)-8a-methyl-6-oxo-1,2,3,4,6,7,8,8a-octahydro-naphthalene-1-carboxylic acid | CHEMBL79880
Type:
Small organic molecule
Emp. Form.:
C25H38O7
Mol. Mass.:
450.565
SMILES:
CCCCC(C)\C=C(/C)C(=O)O[C@@H]1CC[C@H](C(O)=O)[C@@]2(C)C[C@@H](C(C)C(O)O)C(=O)C=C12 |t:30|
Structure:
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