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Target
Integrase
Ligand
BDBM50154405
Substrate
n/a
Meas. Tech.
ChEMBL_305758 (CHEMBL829529)
IC50
85000±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:
BDBM50154405
Synonyms:
4-(5-Ethyl-5H-[1,3]dioxolo[4,5-f]indol-6-yl)-2,4-dioxo-butyric acid methyl ester | CHEMBL187971
Type:
Small organic molecule
Emp. Form.:
C16H15NO6
Mol. Mass.:
317.2934
SMILES:
CCn1c(cc2cc3OCOc3cc12)C(=O)CC(=O)C(=O)OC
Structure:
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