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Target
Integrase
Ligand
BDBM50369073
Substrate
n/a
Meas. Tech.
ChEMBL_90698 (CHEMBL702099)
IC50
10300±n/a nM
Citation
 Raghavan, K; Buolamwini, JK; Fesen, MR; Pommier, Y; Kohn, KW; Weinstein, JN Three-dimensional quantitative structure-activity relationship (QSAR) of HIV integrase inhibitors: a comparative molecular field analysis (CoMFA) study. J Med Chem 38:890-7 (1995) [PubMed]
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:
BDBM50369073
Synonyms:
CHEMBL1159644
Type:
Small organic molecule
Emp. Form.:
C21H20O12
Mol. Mass.:
464.3763
SMILES:
C[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1Oc1c(O)c2c(cc(O)cc2=O)oc1-c1cc(O)c(O)c(O)c1 |r|
Structure:
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