Reaction Details Report a problem with these data
Target
Interleukin-2 receptor subunit alpha
Ligand
BDBM50147992
Substrate
n/a
Meas. Tech.
ChEMBL_89084 (CHEMBL878448)
IC50
110000±n/a nM
Citation
 Raimundo, BC; Oslob, JD; Braisted, AC; Hyde, J; McDowell, RS; Randal, M; Waal, ND; Wilkinson, J; Yu, CH; Arkin, MR Integrating fragment assembly and biophysical methods in the chemical advancement of small-molecule antagonists of IL-2: an approach for inhibiting protein-protein interactions. J Med Chem 47:3111-30 (2004) [PubMed]  Article 
Target
Name:
Interleukin-2 receptor subunit alpha
Synonyms:
CD_antigen=CD25 | IL-2 receptor alpha subunit | IL-2-RA | IL2-RA | IL2RA_MOUSE | Il2r | Il2ra | Interleukin-2 receptor alpha chain | p55
Type:
PROTEIN
Mol. Mass.:
30733.96
Organism:
Mus musculus
Description:
ChEMBL_89085
Residue:
268
Sequence:
MEPRLLMLGFLSLTIVPSCRAELCLYDPPEVPNATFKALSYKNGTILNCECKRGFRRLKELVYMRCLGNSWSSNCQCTSNSHDKSRKQVTAQLEHQKEQQTTTDMQKPTQSMHQENLTGHCREPPPWKHEDSKRIYHFVEGQSVHYECIPGYKALQRGPAISICKMKCGKTGWTQPQLTCVDEREHHRFLASEESQGSRNSSPESETSCPITTTDFPQPTETTAMTETFVLTMEYKVAVASCLFLLISILLLSGLTWQHRWRKSRRTI
  
Inhibitor
Name:
BDBM50147992
Synonyms:
2-(R)-Cyclohexyl-N-(2-{4-[5-(3,4-dichloro-phenyl)-2H-pyrazol-3-yl]-piperidin-1-yl}-2-oxo-ethyl)-2-guanidino-acetamide | CHEMBL321540
Type:
Small organic molecule
Emp. Form.:
C25H33Cl2N7O2
Mol. Mass.:
534.481
SMILES:
NC(N)=N[C@H](C1CCCCC1)C(=O)NCC(=O)N1CCC(CC1)c1cc(n[nH]1)-c1ccc(Cl)c(Cl)c1 |wD:4.3,(11.97,-.63,;11.27,.74,;12.09,2.04,;9.73,.81,;8.91,-.5,;9.61,-1.87,;11.15,-1.92,;11.85,-3.3,;11.03,-4.59,;9.49,-4.52,;8.78,-3.16,;7.37,-.43,;6.65,.92,;6.54,-1.73,;5,-1.68,;4.18,-2.97,;4.9,-4.34,;2.64,-2.91,;1.82,-4.21,;.29,-4.15,;-.42,-2.78,;.38,-1.48,;1.92,-1.55,;-1.96,-2.71,;-2.91,-3.93,;-4.36,-3.39,;-4.31,-1.87,;-2.82,-1.45,;-5.64,-4.25,;-6.99,-3.48,;-8.32,-4.25,;-8.32,-5.79,;-9.65,-6.56,;-6.99,-6.56,;-6.99,-8.1,;-5.64,-5.79,)|
Structure:
Search PDB for entries with ligand similarity: