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Target
Integrase
Ligand
BDBM50484171
Substrate
n/a
Meas. Tech.
ChEMBL_762390 (CHEMBL1816563)
IC50
20000±n/a nM
Citation
 Fan, X; Zhang, FH; Al-Safi, RI; Zeng, LF; Shabaik, Y; Debnath, B; Sanchez, TW; Odde, S; Neamati, N; Long, YQ Design of HIV-1 integrase inhibitors targeting the catalytic domain as well as its interaction with LEDGF/p75: a scaffold hopping approach using salicylate and catechol groups. Bioorg Med Chem 19:4935-52 (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:
BDBM50484171
Synonyms:
CHEMBL1813514
Type:
Small organic molecule
Emp. Form.:
C17H19FN2O3
Mol. Mass.:
318.3428
SMILES:
CN(C)Cc1ccc(C(=O)NCc2ccc(F)cc2)c(O)c1O
Structure:
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