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Target
Integrase
Ligand
BDBM50042949
Substrate
n/a
Meas. Tech.
ChEMBL_88769 (CHEMBL857173)
IC50
19953±n/a nM
Citation
 Buolamwini, JK; Assefa, H CoMFA and CoMSIA 3D QSAR and docking studies on conformationally-restrained cinnamoyl HIV-1 integrase inhibitors: exploration of a binding mode at the active site. J Med Chem 45:841-52 (2002) [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:
BDBM50042949
Synonyms:
(E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propen-1-one (21) | (E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one | (E)-3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phenyl)-propenone | 3,4,2',4'-tetrahydroxychalone | 3-(3,4-Dihydroxy-phenyl)-1-(2,4-dihydroxy-phenyl)-propenone | Butein | CHEMBL128000
Type:
Small organic molecule
Emp. Form.:
C15H12O5
Mol. Mass.:
272.2528
SMILES:
Oc1ccc(C(=O)\C=C\c2ccc(O)c(O)c2)c(O)c1
Structure:
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