Reaction Details Report a problem with these data
Target
Glutathione S-transferase omega-1
Ligand
BDBM54247
Substrate
n/a
Meas. Tech.
ChEMBL_1764011 (CHEMBL4199258)
IC50
120±n/a nM
Citation
 Xie, Y; Dahlin, JL; Oakley, AJ; Casarotto, MG; Board, PG; Baell, JB Reviewing Hit Discovery Literature for Difficult Targets: Glutathione Transferase Omega-1 as an Example. J Med Chem 61:7448-7470 (2018) [PubMed]  Article 
Target
Name:
Glutathione S-transferase omega-1
Synonyms:
GSTO 1-1 | GSTO1 | GSTO1_HUMAN | GSTTLP28 | Glutathione S-transferase omega-1 | Glutathione transferase omega 1 | glutathione S-transferase omega-1 isoform 1
Type:
PROTEIN
Mol. Mass.:
27565.54
Organism:
Homo sapiens (Human)
Description:
EBI_11172
Residue:
241
Sequence:
MSGESARSLGKGSAPPGPVPEGSIRIYSMRFCPFAERTRLVLKAKGIRHEVININLKNKPEWFFKKNPFGLVPVLENSQGQLIYESAITCEYLDEAYPGKKLLPDDPYEKACQKMILELFSKVPSLVGSFIRSQNKEDYAGLKEEFRKEFTKLEEVLTNKKTTFFGGNSISMIDYLIWPWFERLEAMKLNECVDHTPKLKLWMAAMKEDPTVSALLTSEKDWQGFLELYLQNSPEACDYGL
  
Inhibitor
Name:
BDBM54247
Synonyms:
2-Chloro-N-(3,4-dimethoxy-benzyl)-N-[3-(4-isopropoxy-phenyl)-3-phenyl-propyl]-acetamide | 2-chloranyl-N-[(3,4-dimethoxyphenyl)methyl]-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]ethanamide | 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide | 2-chloro-N-[3-(4-isopropoxyphenyl)-3-phenyl-propyl]-N-veratryl-acetamide | MLS000590567 | SMR000217634 | cid_3850682
Type:
Small organic molecule
Emp. Form.:
C29H34ClNO4
Mol. Mass.:
496.038
SMILES:
COc1ccc(CN(CCC(c2ccccc2)c2ccc(OC(C)C)cc2)C(=O)CCl)cc1OC
Structure:
Search PDB for entries with ligand similarity: