Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM7457
Substrate
n/a
Meas. Tech.
ChEMBL_90698 (CHEMBL702099)
IC50
8500±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]  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:
BDBM7457
Synonyms:
2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one | 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chromen-4-one | 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chromone;dihydrate | CHEMBL31574 | Fisetin (14) | Fisetin, 15 | fisetin
Type:
Small organic molecule
Emp. Form.:
C15H10O6
Mol. Mass.:
286.2363
SMILES:
Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Structure:
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