Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50085437
Substrate
n/a
Meas. Tech.
ChEBML_90573
IC50
24000±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:
BDBM50085437
Synonyms:
CHEMBL80385 | Integric acid derivative
Type:
Small organic molecule
Emp. Form.:
C54H74N2O10
Mol. Mass.:
911.1728
SMILES:
CCCCC(C)\C=C(/C)C(=O)O[C@@H]1CC[C@H](C(=O)N2CCN(CC2)C(=O)[C@H]2CC[C@@H](OC(=O)C(\C)=C\C(C)CCCC)C3=CC(=O)C(C[C@]23C)=C(C)C=O)[C@@]2(C)CC(=C(C)C=O)C(=O)C=C12 |w:58.61,50.53,t:43,67|
Structure:
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