Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50062551
Substrate
n/a
Meas. Tech.
ChEMBL_1932792 (CHEMBL4478444)
IC50
68±n/a nM
Citation
 Wu, B; Tang, J; Wilson, DJ; Huber, AD; Casey, MC; Ji, J; Kankanala, J; Xie, J; Sarafianos, SG; Wang, Z 3-Hydroxypyrimidine-2,4-dione-5-N-benzylcarboxamides Potently Inhibit HIV-1 Integrase and RNase H. J Med Chem 59:6136-48 (2016) [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:
BDBM50062551
Synonyms:
CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572
Type:
Small organic molecule
Emp. Form.:
C20H19F2N3O5
Mol. Mass.:
419.3788
SMILES:
[H][C@]12Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N1[C@H](C)CCO2 |r|
Structure:
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