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Target
Integrase
Ligand
BDBM50076279
Substrate
n/a
Meas. Tech.
ChEMBL_90575 (CHEMBL701159)
IC50
3800±n/a nM
Citation
 Lin, Z; Neamati, N; Zhao, H; Kiryu, Y; Turpin, JA; Aberham, C; Strebel, K; Kohn, K; Witvrouw, M; Pannecouque, C; Debyser, Z; De Clercq, E; Rice, WG; Pommier, Y; Burke, TR Chicoric acid analogues as HIV-1 integrase inhibitors. J Med Chem 42:1401-14 (1999) [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:
BDBM50076279
Synonyms:
(E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid (S)-2-[(E)-3-(3,4-diacetoxy-phenyl)-acryloylamino]-2-methoxycarbonyl-ethyl ester | CHEMBL30922
Type:
Small organic molecule
Emp. Form.:
C30H29NO13
Mol. Mass.:
611.5502
SMILES:
COC(=O)[C@H](COC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1)NC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1
Structure:
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