Reaction Details  Report a problem with these data
Target
L-selectin
Ligand
BDBM50422122
Substrate
n/a
Meas. Tech.
ChEMBL_200001 (CHEMBL810690)
IC50
5000000±n/a nM
Citation
 Kogan, TP; Dupré, B; Keller, KM; Scott, IL; Bui, H; Market, RV; Beck, PJ; Voytus, JA; Revelle, BM; Scott, D Rational design and synthesis of small molecule, non-oligosaccharide selectin inhibitors: (alpha-D-mannopyranosyloxy)biphenyl-substituted carboxylic acids. J Med Chem 38:4976-84 (1996) [PubMed]
Target
Name:
L-selectin
Synonyms:
LYAM1_MOUSE | Leukocyte adhesion molecule-1 | Lnhr | Ly-22 | Ly22 | Sell
Type:
PROTEIN
Mol. Mass.:
42288.63
Organism:
Mus musculus
Description:
ChEMBL_199996
Residue:
372
Sequence:
MVFPWRCEGTYWGSRNILKLWVWTLLCCDFLIHHGTHCWTYHYSEKPMNWENARKFCKQNYTDLVAIQNKREIEYLENTLPKSPYYYWIGIRKIGKMWTWVGTNKTLTKEAENWGAGEPNNKKSKEDCVEIYIKRERDSGKWNDDACHKRKAALCYTASCQPGSCNGRGECVETINNHTCICDAGYYGPQCQYVVQCEPLEAPELGTMDCIHPLGNFSFQSKCAFNCSEGRELLGTAETQCGASGNWSSPEPICQVVQCEPLEAPELGTMDCIHPLGNFSFQSKCAFNCSEGRELLGTAETQCGASGNWSSPEPICQETNRSFSKIKEGDYNPLFIPVAVMVTAFSGLAFLIWLARRLKKGKKSQERMDDPY
  
Inhibitor
Name:
BDBM50422122
Synonyms:
CHEMBL2303951
Type:
Small organic molecule
Emp. Form.:
C23H25NO11
Mol. Mass.:
491.4447
SMILES:
OC[C@H]1O[C@H](Oc2ccccc2-c2ccc(cc2)C(=O)NC(CC(O)=O)C(O)=O)[C@@H](O)[C@H](O)[C@@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: