Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50498473
Substrate
n/a
Meas. Tech.
ChEMBL_1546982 (CHEMBL3748085)
EC50
69±n/a nM
Citation
 Kozakov, D; Hall, DR; Napoleon, RL; Yueh, C; Whitty, A; Vajda, S New Frontiers in Druggability. J Med Chem 58:9063-88 (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:
BDBM50498473
Synonyms:
CHEMBL1230654
Type:
Small organic molecule
Emp. Form.:
C21H20ClNO2
Mol. Mass.:
353.842
SMILES:
CCC[C@H](C(O)=O)c1c(C)nc2ccc(Cl)cc2c1-c1ccccc1 |r|
Structure:
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