Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50154419
Substrate
n/a
Meas. Tech.
ChEMBL_305788 (CHEMBL827976)
IC50
2000±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:
BDBM50154419
Synonyms:
(Z)-4-(5-Benzyl-5H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-hydroxy-4-oxo-but-2-enoic acid | CHEMBL188145
Type:
Small organic molecule
Emp. Form.:
C20H15NO6
Mol. Mass.:
365.3362
SMILES:
OC(=O)C(=O)CC(=O)c1cc2cc3OCOc3cc2n1Cc1ccccc1
Structure:
Search PDB for entries with ligand similarity: