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Target
Integrase
Ligand
BDBM50029209
Substrate
n/a
Meas. Tech.
ChEMBL_88620 (CHEMBL701724)
IC50
>100000±n/a nM
Citation
 Burke, TR; Fesen, MR; Mazumder, A; Wang, J; Carothers, AM; Grunberger, D; Driscoll, J; Kohn, K; Pommier, Y Hydroxylated aromatic inhibitors of HIV-1 integrase. J Med Chem 38:4171-8 (1995) [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:
BDBM50029209
Synonyms:
(E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid methyl ester | (E)-methyl 3-(3,4-dihydroxyphenyl)acrylate | 3-(3,4-Dihydroxy-phenyl)-acrylic acid methyl ester | CHEMBL17001 | METHYLCAFFEATE | Methyl 1-(3',4'-dihydroxyphenyl)propenate | Methyl caffeate | methyl 3-(3,4-dihydroxyphenyl)acrylate
Type:
Small organic molecule
Emp. Form.:
C10H10O4
Mol. Mass.:
194.184
SMILES:
COC(=O)\C=C\c1ccc(O)c(O)c1
Structure:
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