Reaction Details Report a problem with these data
Target
HLA class II histocompatibility antigen, DR beta 3 chain
Ligand
BDBM50287650
Substrate
n/a
Meas. Tech.
ChEBML_47860
IC50
130±n/a nM
Citation
 Hanson, GJ; Vuletich, JL; Bedell, LJ; Bono, CP; Howard, SC; Welply, JK; Woulfe, SL; Zacheis, ML Design of MHC class II (DR4) ligands using conformationally restricted imino acids at p3 and p5 Bioorg Med Chem Lett 6:1931-1936 (1996)    Article 
Target
Name:
HLA class II histocompatibility antigen, DR beta 3 chain
Synonyms:
DRB3_HUMAN | HLA class II histocompatibility antigen DRB3-1 | HLA class II histocompatibility antigen, DRB3-1 beta chain | HLA-DRB3 | Human leukocyte antigen DR beta chain | MHC class I antigen DRB3*1
Type:
PROTEIN
Mol. Mass.:
29969.73
Organism:
Homo sapiens (Human)
Description:
ChEMBL_47860
Residue:
266
Sequence:
MVCLKLPGGSSLAALTVTLMVLSSRLAFAGDTRPRFLELRKSECHFFNGTERVRYLDRYFHNQEEFLRFDSDVGEYRAVTELGRPVAESWNSQKDLLEQKRGRVDNYCRHNYGVGESFTVQRRVHPQVTVYPAKTQPLQHHNLLVCSVSGFYPGSIEVRWFRNGQEEKAGVVSTGLIQNGDWTFQTLVMLETVPRSGEVYTCQVEHPSVTSALTVEWRARSESAQSKMLSGVGGFVLGLLFLGAGLFIYFRNQKGHSGLQPTGFLS
  
Inhibitor
Name:
BDBM50287650
Synonyms:
(S)-3-({1-[2-Cyclohexyl-2-((R)-3-cyclohexyl-butyrylamino)-acetyl]-piperidine-2-carbonyl}-amino)-4-[(S)-2-((1S,2R)-2-hydroxy-1-propylcarbamoyl-propylcarbamoyl)-pyrrolidin-1-yl]-4-oxo-butyric acid | CHEMBL2373033
Type:
Small organic molecule
Emp. Form.:
C36H60N6O9
Mol. Mass.:
720.8964
SMILES:
CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)CCC1CCCCC1)C(C)C)[C@@H](C)O
Structure:
Search PDB for entries with ligand similarity: