Reaction Details Report a problem with these data
Target
L-selectin
Ligand
BDBM50067553
Substrate
n/a
Meas. Tech.
ChEMBL_200000 (CHEMBL810689)
IC50
3800±n/a nM
Citation
 Tsukida, T; Moriyama, H; Kurokawa, K; Achiha, T; Inoue, Y; Kondo, H Studies on selectin blockers. 7. Structure-activity relationships of sialyl Lewis X mimetics based on modified Ser-Glu dipeptides. J Med Chem 41:4279-87 (1998) [PubMed]  Article 
Target
Name:
L-selectin
Synonyms:
LNHR | LYAM1 | LYAM1_HUMAN | Leukocyte adhesion molecule-1 | SELL | Selectin
Type:
PROTEIN
Mol. Mass.:
42187.20
Organism:
Homo sapiens (Human)
Description:
ChEMBL_200000
Residue:
372
Sequence:
MIFPWKCQSTQRDLWNIFKLWGWTMLCCDFLAHHGTDCWTYHYSEKPMNWQRARRFCRDNYTDLVAIQNKAEIEYLEKTLPFSRSYYWIGIRKIGGIWTWVGTNKSLTEEAENWGDGEPNNKKNKEDCVEIYIKRNKDAGKWNDDACHKLKAALCYTASCQPWSCSGHGECVEIINNYTCNCDVGYYGPQCQFVIQCEPLEAPELGTMDCTHPLGNFSFSSQCAFSCSEGTNLTGIEETTCGPFGNWSSPEPTCQVIQCEPLSAPDLGIMNCSHPLASFSFTSACTFICSEGTELIGKKKTICESSGIWSNPSPICQKLDKSFSMIKEGDYNPLFIPVAVMVTAFSGLAFIIWLARRLKKGKKSKRSMNDPY
  
Inhibitor
Name:
BDBM50067553
Synonyms:
CHEMBL133134 | N-Methyl-3-[(R)-2-(2-tetradecyl-hexadecanoylamino)-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-propionylamino]-succinamic acid
Type:
Small organic molecule
Emp. Form.:
C44H83N3O10
Mol. Mass.:
814.1439
SMILES:
CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1OC(C)C(O)C(O)C1O)C(=O)NC(CC(O)=O)C(=O)NC
Structure:
Search PDB for entries with ligand similarity: