Reaction Details Report a problem with these data
Target
Phospholipid hydroperoxide glutathione peroxidase
Ligand
BDBM66431
Substrate
n/a
Meas. Tech.
ChEMBL_2017295 (CHEMBL4670873)
EC50
2200±n/a nM
Citation
 Eaton, JK; Furst, L; Cai, LL; Viswanathan, VS; Schreiber, SL Structure-activity relationships of GPX4 inhibitor warheads. Bioorg Med Chem Lett 30:0 (2020) [PubMed]  Article 
Target
Name:
Phospholipid hydroperoxide glutathione peroxidase
Synonyms:
1.11.1.12 | GPX4 | GPX4_HUMAN | GPx-4 | GSHPx-4 | Glutathione peroxidase 4 | PHGPx
Type:
PROTEIN
Mol. Mass.:
22031.99
Organism:
Homo sapiens
Description:
ChEMBL_117999
Residue:
196
Sequence:
MSLGRLCRLLKPALLCGALAAPGLAGTMCASRDDWRCARSMHEFSAKDIDGHMVNLDKYRGFVCIVTNVASQGKTEVNYTQLVDLHARYAECGLRILAFPCNQFGKQEPGSNEEIKEFAAGYNVKFDMFSKICVNGDDAHPLWKWMKIQPKGKGILGNAIKWNFTKFLIDKNGCVVKRYGPMEEPLVIEKDLPHYF
  
Inhibitor
Name:
BDBM66431
Synonyms:
2-(3-chloro-N-(2-chloro-1-oxoethyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide | 2-(3-chloro-N-(2-chloroacetyl)-4-methoxy-anilino)-N-phenethyl-2-(2-thienyl)acetamide | 2-(3-chloro-N-(2-chloroacetyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide | 2-[(chloroacetyl)(3-chloro-4-methoxyphenyl)amino]-N-(2-phenylethyl)-2-thien-2-ylacetamide | 2-[2-chloranylethanoyl-(3-chloranyl-4-methoxy-phenyl)amino]-N-(2-phenylethyl)-2-thiophen-2-yl-ethanamide | MLS000583955 | SMR000206941 | cid_3689413
Type:
Small organic molecule
Emp. Form.:
C23H22Cl2N2O3S
Mol. Mass.:
477.403
SMILES:
COc1ccc(cc1Cl)N(C(C(=O)NCCc1ccccc1)c1cccs1)C(=O)CCl
Structure:
Search PDB for entries with ligand similarity: