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Target
Integrase
Ligand
BDBM50062776
Substrate
n/a
Meas. Tech.
ChEMBL_1463173 (CHEMBL3399229)
IC50
>100000±n/a nM
Citation
 Wang, Y; Rong, J; Zhang, B; Hu, L; Wang, X; Zeng, C Design and synthesis of N-methylpyrimidone derivatives as HIV-1 integrase inhibitors. Bioorg Med Chem 23:735-41 (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:
BDBM50062776
Synonyms:
CHEMBL3397854
Type:
Small organic molecule
Emp. Form.:
C28H33N5O7
Mol. Mass.:
551.5909
SMILES:
COc1c(nc(Cc2ccc(O)cc2)n(C)c1=O)C(=O)N1CCN(CCCNC(=O)c2ccc(O)c(O)c2)CC1
Structure:
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