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Target
Integrase
Ligand
BDBM50479126
Substrate
n/a
Meas. Tech.
ChEMBL_509880 (CHEMBL998725)
IC50
4800±n/a nM
Citation
 Pasquini, S; Mugnaini, C; Tintori, C; Botta, M; Trejos, A; Arvela, RK; Larhed, M; Witvrouw, M; Michiels, M; Christ, F; Debyser, Z; Corelli, F Investigations on the 4-quinolone-3-carboxylic acid motif. 1. Synthesis and structure-activity relationship of a class of human immunodeficiency virus type 1 integrase inhibitors. J Med Chem 51:5125-9 (2008) [PubMed]  Article 
Target
Name:
Integrase
Synonyms:
pol
Type:
PROTEIN
Mol. Mass.:
32203.43
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_106649
Residue:
288
Sequence:
FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM50479126
Synonyms:
CHEMBL511508
Type:
Small organic molecule
Emp. Form.:
C18H15NO4S
Mol. Mass.:
341.381
SMILES:
OCCn1cc(C(O)=O)c(=O)c2cc(Sc3ccccc3)ccc12
Structure:
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