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Target
Integrase
Ligand
BDBM50498635
Substrate
n/a
Meas. Tech.
ChEMBL_1514942 (CHEMBL3615808)
IC50
46±n/a nM
Citation
 Cuzzucoli Crucitti, G; Pescatori, L; Messore, A; Madia, VN; Pupo, G; Saccoliti, F; Scipione, L; Tortorella, S; Di Leva, FS; Cosconati, S; Novellino, E; Debyser, Z; Christ, F; Costi, R; Di Santo, R Discovery of N-aryl-naphthylamines as in vitro inhibitors of the interaction between HIV integrase and the cofactor LEDGF/p75. Eur J Med Chem 101:288-94 (2015) [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:
BDBM50498635
Synonyms:
CHEMBL3612301
Type:
Small organic molecule
Emp. Form.:
C22H24O3S
Mol. Mass.:
368.489
SMILES:
Cc1cc2c(-c3ccc(C)cc3)c(ccc2s1)C(OC(C)(C)C)C(O)=O
Structure:
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