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Target
Integrase
Ligand
BDBM50484165
Substrate
n/a
Meas. Tech.
ChEMBL_762390 (CHEMBL1816563)
IC50
44000±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 type 1
Description:
ChEMBL_106649
Residue:
288
Sequence:
FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM50484165
Synonyms:
CHEMBL1813510
Type:
Small organic molecule
Emp. Form.:
C17H20N2O5S2
Mol. Mass.:
396.481
SMILES:
Oc1cc(cc(C(=O)NCc2cccs2)c1O)S(=O)(=O)N1CCCCC1
Structure:
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