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Target
Integrase
Ligand
BDBM50482644
Substrate
n/a
Meas. Tech.
ChEMBL_652620 (CHEMBL1225823)
IC50
17470±n/a nM
Citation
 Yang, L; Xu, X; Huang, Y; Zhang, B; Zeng, C; He, H; Wang, C; Hu, L Synthesis of polyhydroxylated aromatics having amidation of piperazine nitrogen as HIV-1 integrase inhibitor. Bioorg Med Chem Lett 20:5469-71 (2010) [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:
BDBM50482644
Synonyms:
CHEMBL1224052
Type:
Small organic molecule
Emp. Form.:
C24H29N3O5
Mol. Mass.:
439.5042
SMILES:
Cc1ccc(\C=C\C(=O)N2CCN(CCCNC(=O)c3cc(O)c(O)c(O)c3)CC2)cc1
Structure:
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