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Target
Integrase
Ligand
BDBM50483856
Substrate
n/a
Meas. Tech.
ChEMBL_746336 (CHEMBL1777555)
IC50
13±n/a nM
Citation
 Johnson, TW; Tanis, SP; Butler, SL; Dalvie, D; Delisle, DM; Dress, KR; Flahive, EJ; Hu, Q; Kuehler, JE; Kuki, A; Liu, W; McClellan, GA; Peng, Q; Plewe, MB; Richardson, PF; Smith, GL; Solowiej, J; Tran, KT; Wang, H; Yu, X; Zhang, J; Zhu, H Design and synthesis of novel N-hydroxy-dihydronaphthyridinones as potent and orally bioavailable HIV-1 integrase inhibitors. J Med Chem 54:3393-417 (2011) [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:
BDBM50483856
Synonyms:
CHEMBL1773413
Type:
Small organic molecule
Emp. Form.:
C19H19FN4O4S
Mol. Mass.:
418.442
SMILES:
CN(C)S(=O)(=O)c1cn(Cc2ccc(F)cc2)c2cnc3C(=O)N(O)CCc3c12
Structure:
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