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Target
Integrase
Ligand
BDBM50076261
Substrate
n/a
Meas. Tech.
ChEMBL_90575 (CHEMBL701159)
IC50
>333000±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:
BDBM50076261
Synonyms:
(E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid (1S,2S)-2-[(E)-3-(3,4-diacetoxy-phenyl)-acryloyloxy]-cyclohexyl ester | CHEMBL31600
Type:
Small organic molecule
Emp. Form.:
C32H32O12
Mol. Mass.:
608.5893
SMILES:
CC(=O)Oc1ccc(\C=C\C(=O)O[C@H]2CCCC[C@@H]2OC(=O)\C=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O
Structure:
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