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Target
Integrase
Ligand
BDBM50067028
Substrate
n/a
Meas. Tech.
ChEMBL_88769 (CHEMBL857173)
IC50
37154±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:
BDBM50067028
Synonyms:
(1E,4E)-1,5-Bis-(4-hydroxy-3-methoxy-phenyl)-penta-1,4-dien-3-one | (1E,4E)-1,5-bis(4-hydroxy-3-methoxyphenyl)penta-1,4-dien-3-one | 1,5-Bis(4-hydroxy-3-methoxyphenyl)penta-1,4-dien-3-one | 1,5-Bis-(4-hydroxy-3-methoxy-phenyl)-penta-1,4-dien-3-one | 1,5-bis-(4-hydroxy-3-methoxyphenyl)-penta-1,4-dien-3-one | CHEMBL128729 | Go-Y022
Type:
Small organic molecule
Emp. Form.:
C19H18O5
Mol. Mass.:
326.3432
SMILES:
COc1cc(\C=C\C(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Structure:
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