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Target
Integrase
Ligand
BDBM50154403
Substrate
n/a
Meas. Tech.
ChEMBL_305758 (CHEMBL829529)
IC50
>100000±n/a nM
Citation
 Sechi, M; Derudas, M; Dallocchio, R; Dessì, A; Bacchi, A; Sannia, L; Carta, F; Palomba, M; Ragab, O; Chan, C; Shoemaker, R; Sei, S; Dayam, R; Neamati, N Design and synthesis of novel indole beta-diketo acid derivatives as HIV-1 integrase inhibitors. J Med Chem 47:5298-310 (2004) [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:
BDBM50154403
Synonyms:
4-(1-Ethyl-1H-indol-3-yl)-2,4-dioxo-butyric acid methyl ester | CHEMBL364097 | Methyl 4-(1-Ethyl-1H-indol-3-yl)-2-hydroxy-4-oxo-but-2-enoate
Type:
Small organic molecule
Emp. Form.:
C15H15NO4
Mol. Mass.:
273.2839
SMILES:
CCn1cc(C(=O)CC(=O)C(=O)OC)c2ccccc12
Structure:
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