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Target
E-selectin
Ligand
BDBM50087284
Substrate
n/a
Meas. Tech.
ChEMBL_199877 (CHEMBL803778)
IC50
1200000±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:
BDBM50087284
Synonyms:
5-{4-Carboxy-2-[3-(4-octadecanoylamino-phenyl)-3-oxo-propionylamino]-phenoxy}-isophthalic acid | CHEMBL291255
Type:
Small organic molecule
Emp. Form.:
C42H52N2O10
Mol. Mass.:
744.8697
SMILES:
CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1)C(=O)CC(=O)Nc1cc(ccc1Oc1cc(cc(c1)C(O)=O)C(O)=O)C(O)=O
Structure:
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