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Target
Integrase
Ligand
BDBM50455262
Substrate
n/a
Meas. Tech.
ChEMBL_1507547 (CHEMBL3599803)
IC50
>100000±n/a nM
Citation
 Ferro, S; De Luca, L; Agharbaoui, FE; Christ, F; Debyser, Z; Gitto, R Optimization of rhodanine scaffold for the development of protein-protein interaction inhibitors. Bioorg Med Chem 23:3208-14 (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:
BDBM50455262
Synonyms:
CHEMBL3597542
Type:
Small organic molecule
Emp. Form.:
C14H13NO4S2
Mol. Mass.:
323.387
SMILES:
COc1ccc(\C=C2/SC(=S)N(CCC(O)=O)C2=O)cc1
Structure:
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