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Target
Integrase
Ligand
BDBM50009001
Substrate
n/a
Meas. Tech.
ChEMBL_90698 (CHEMBL702099)
IC50
4300±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:
BDBM50009001
Synonyms:
5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one | Baicalein | Baicalein, 14 | Baicalein, 8 | CHEMBL8260 | US10252984, Table 2.33
Type:
Small organic molecule
Emp. Form.:
C15H10O5
Mol. Mass.:
270.2369
SMILES:
Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
Structure:
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