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Target
E-selectin
Ligand
BDBM50087285
Substrate
n/a
Meas. Tech.
ChEMBL_199877 (CHEMBL803778)
IC50
13000±n/a nM
Citation
 Hiramatsu, Y; Tsukida, T; Nakai, Y; Inoue, Y; Kondo, H Study on selectin blocker. 8. Lead discovery of a non-sugar antagonist using a 3D-pharmacophore model. J Med Chem 43:1476-83 (2000) [PubMed]  Article 
Target
Name:
E-selectin
Synonyms:
Elam-1 | LYAM2_MOUSE | Sele | Selectin E
Type:
PROTEIN
Mol. Mass.:
66749.86
Organism:
Mus musculus
Description:
ChEMBL_199837
Residue:
612
Sequence:
MNASRFLSALVFVLLAGESTAWYYNASSELMTYDEASAYCQRDYTHLVAIQNKEEINYLNSNLKHSPSYYWIGIRKVNNVWIWVGTGKPLTEEAQNWAPGEPNNKQRNEDCVEIYIQRTKDSGMWNDERCNKKKLALCYTASCTNASCSGHGECIETINSYTCKCHPGFLGPNCEQAVTCKPQEHPDYGSLNCSHPFGPFSYNSSCSFGCKRGYLPSSMETTVRCTSSGEWSAPAPACHVVECEALTHPAHGIRKCSSNPGSYPWNTTCTFDCVEGYRRVGAQNLQCTSSGIWDNETPSCKAVTCDAIPQPQNGFVSCSHSTAGELAFKSSCNFTCEQSFTLQGPAQVECSAQGQWTPQIPVCKAVQCEALSAPQQGNMKCLPSASGPFQNGSSCEFSCEEGFELKGSRRLQCGPRGEWDSKKPTCSAVKCDDVPRPQNGVMECAHATTGEFTYKSSCAFQCNEGFSLHGSAQLECTSQGKWTQEVPSCQVVQCPSLDVPGKMNMSCSGTAVFGTVCEFTCPDDWTLNGSAVLTCGATGRWSGMPPTCEAPVSPTRPLVVALSAAGTSLLTSSSLLYLLMRYFRKKAKKFVPASSCQSLQSFENYHVPSYNV
  
Inhibitor
Name:
BDBM50087285
Synonyms:
4-Methylcarbamoyl-4-[2-(2-tetradecyl-hexadecanoylamino)-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-propionylamino]-butyric acid | CHEMBL284929
Type:
Small organic molecule
Emp. Form.:
C45H85N3O10
Mol. Mass.:
828.1705
SMILES:
CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O)C(=O)N[C@H](CCC(O)=O)C(=O)NC
Structure:
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