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Target
Integrase
Ligand
BDBM50042944
Substrate
n/a
Meas. Tech.
ChEMBL_88769 (CHEMBL857173)
IC50
100000±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]
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:
BDBM50042944
Synonyms:
(E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-propenone | (E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one | 1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-propenone | 1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-prop-2-en-1-one | 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one | 2',4',4-trihydroxychalcone | 2',4,4'-trihydroxychalcone | 2,4'-dihydroxy-4-hydroxychalcone | CHEMBL129795 | Isoliquiritigenin (1) | cid_638278
Type:
Small organic molecule
Emp. Form.:
C15H12O4
Mol. Mass.:
256.2534
SMILES:
Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
Structure:
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