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Target
P-selectin
Ligand
BDBM50027066
Substrate
n/a
Meas. Tech.
ChEMBL_1438999 (CHEMBL3383106)
IC50
8000±n/a nM
Citation
 Calosso, M; Tambutet, G; Charpentier, D; St-Pierre, G; Vaillancourt, M; Bencheqroun, M; Gratton, JP; Prévost, M; Guindon, Y Acyclic tethers mimicking subunits of polysaccharide ligands: selectin antagonists. ACS Med Chem Lett 5:1054-9 (2014) [PubMed]  Article 
Target
Name:
P-selectin
Synonyms:
GMRP | GRMP | LYAM3_HUMAN | P-selectin | P-selectin/P-selectin glycoprotein ligand 1 | SELP
Type:
PROTEIN
Mol. Mass.:
90834.61
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1438999
Residue:
830
Sequence:
MANCQIAILYQRFQRVVFGISQLLCFSALISELTNQKEVAAWTYHYSTKAYSWNISRKYCQNRYTDLVAIQNKNEIDYLNKVLPYYSSYYWIGIRKNNKTWTWVGTKKALTNEAENWADNEPNNKRNNEDCVEIYIKSPSAPGKWNDEHCLKKKHALCYTASCQDMSCSKQGECLETIGNYTCSCYPGFYGPECEYVRECGELELPQHVLMNCSHPLGNFSFNSQCSFHCTDGYQVNGPSKLECLASGIWTNKPPQCLAAQCPPLKIPERGNMTCLHSAKAFQHQSSCSFSCEEGFALVGPEVVQCTASGVWTAPAPVCKAVQCQHLEAPSEGTMDCVHPLTAFAYGSSCKFECQPGYRVRGLDMLRCIDSGHWSAPLPTCEAISCEPLESPVHGSMDCSPSLRAFQYDTNCSFRCAEGFMLRGADIVRCDNLGQWTAPAPVCQALQCQDLPVPNEARVNCSHPFGAFRYQSVCSFTCNEGLLLVGASVLQCLATGNWNSVPPECQAIPCTPLLSPQNGTMTCVQPLGSSSYKSTCQFICDEGYSLSGPERLDCTRSGRWTDSPPMCEAIKCPELFAPEQGSLDCSDTRGEFNVGSTCHFSCDNGFKLEGPNNVECTTSGRWSATPPTCKGIASLPTPGLQCPALTTPGQGTMYCRHHPGTFGFNTTCYFGCNAGFTLIGDSTLSCRPSGQWTAVTPACRAVKCSELHVNKPIAMNCSNLWGNFSYGSICSFHCLEGQLLNGSAQTACQENGHWSTTVPTCQAGPLTIQEALTYFGGAVASTIGLIMGGTLLALLRKRFRQKDDGKCPLNPHSHLGTYGVFTNAAFDPSP
  
Inhibitor
Name:
BDBM50027066
Synonyms:
CHEMBL3335534
Type:
Small organic molecule
Emp. Form.:
C93H109N3O38
Mol. Mass.:
1876.8579
SMILES:
CC(C)OC(=O)[C@H](O[C@@H]1O[C@H](CO)[C@H](OC(=O)c2ccccc2)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1OC(=O)c1ccccc1)[C@@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O)C(=O)OCCCCCn1cc(CCOC(=O)[C@H](O[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](OC(=O)c3ccccc3)[C@@H](O[C@@H](Cc3ccccc3)C(O)=O)[C@H]2OC(=O)c2ccccc2)C(=O)OC(C)C)nn1 |r|
Structure:
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