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Target
Integrase
Ligand
BDBM50033768
Substrate
n/a
Meas. Tech.
ChEMBL_90698 (CHEMBL702099)
IC50
25100±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:
BDBM50033768
Synonyms:
2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-(4,5,6-trihydroxy-tetrahydro-pyran-3-yloxy)-chromen-4-one | CHEMBL353450
Type:
Small organic molecule
Emp. Form.:
C20H18O11
Mol. Mass.:
434.3503
SMILES:
OC1OCC(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C1O
Structure:
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