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Target
Integrase
Ligand
BDBM50067025
Substrate
n/a
Meas. Tech.
ChEMBL_88769 (CHEMBL857173)
IC50
200±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:
BDBM50067025
Synonyms:
3,5-Bis-(3,4-dihydroxy-benzylidene)-tetrahydro-pyran-4-one | 3,5-Bis-[1-(3,4-dihydroxy-phenyl)-meth-(E)-ylidene]-tetrahydro-pyran-4-one | CHEMBL419981
Type:
Small organic molecule
Emp. Form.:
C19H16O6
Mol. Mass.:
340.3267
SMILES:
Oc1ccc(\C=C2/COC\C(=C/c3ccc(O)c(O)c3)C2=O)cc1O
Structure:
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