Reaction Details Report a problem with these data
Target
H2-K region expressed gene 2, rat orthologue
Ligand
BDBM50079854
Substrate
n/a
Meas. Tech.
ChEMBL_103873 (CHEMBL712990)
IC50
25±n/a nM
Citation
 Jones, AB; Acton, JJ; Adams, AD; Yuen, W; Nichols, EA; Schwartz, CD; Wicker, LS; Hermes, JD Tetrapeptide derived inhibitors of complexation of a class II MHC: fully unnatural ligands. Bioorg Med Chem Lett 9:2115-8 (1999) [PubMed]  Article 
Target
Name:
H2-K region expressed gene 2, rat orthologue
Synonyms:
MHC class II | MHC class II region expressed gene KE2, isoform CRA_a
Type:
PROTEIN
Mol. Mass.:
14499.39
Organism:
Rattus norvegicus
Description:
ChEMBL_10342
Residue:
127
Sequence:
MAELIQKKLQGEVEKYQQLQKDLSKSMSGRQKLEAQLTENNIVKEELALLDGSNVVFKLLGPVLVKQELGEARATVGKRLDYITAEIKRYESQLRDLERQSEQQRETLAQLQQEFQRAQNAKAPGKA
  
Inhibitor
Name:
BDBM50079854
Synonyms:
(S)-2-(3-Cyclohexyl-propylamino)-pentanoic acid [(S)-1-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)-butyl]-amide | CHEMBL68003
Type:
Small organic molecule
Emp. Form.:
C25H48N4O3
Mol. Mass.:
452.6736
SMILES:
CCC[C@H](NCCCC1CCCCC1)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CC(C)C)C(N)=O
Structure:
Search PDB for entries with ligand similarity: