Reaction Details Report a problem with these data
Target
P-selectin
Ligand
BDBM50060511
Substrate
n/a
Meas. Tech.
ChEMBL_200024 (CHEMBL810713)
IC50
700±n/a nM
Citation
 Tsukida, T; Hiramatsu, Y; Tsujishita, H; Kiyoi, T; Yoshida, M; Kurokawa, K; Moriyama, H; Ohmoto, H; Wada, Y; Saito, T; Kondo, H Studies on selection blockers. 5. Design, synthesis, and biological profile of sialyl Lewis x mimetics based on modified serine-glutamic acid dipeptides. J Med Chem 40:3534-41 (1997) [PubMed]  Article 
Target
Name:
P-selectin
Synonyms:
CD62 antigen-like family member P | CD_antigen=CD62P | GMP-140 | Granule membrane protein 140 | Grmp | LECAM3 | LYAM3_MOUSE | Leukocyte-endothelial cell adhesion molecule 3 | PADGEM | Selp
Type:
PROTEIN
Mol. Mass.:
83091.41
Organism:
Mus musculus
Description:
ChEMBL_200024
Residue:
768
Sequence:
MAGCPKGSWTPRLRSVILGGAQLIWFSALISELVNQKEVAAWTYNYSTKAYSWNNSRVFCRRHFTDLVAIQNKNEIAHLNDVIPFFNSYYWIGIRKINNKWTWVGTNKTLTEEAENWADNEPNNKKNNQDCVEIYIKSNSAPGKWNDEPCFKRKRALCYTASCQDMSCSNQGECIETIGSYTCSCYPGFYGPECEYVKECGKVNIPQHVLMNCSHPLGEFSFNSQCTFSCAEGYELDGPGELQCLASGIWTNNPPKCDAVQCQSLEAPPHGTMACMHPIAAFAYDSSCKFECQPGYRARGSNTLHCTGSGQWSEPLPTCEAIACEPPEIPIHGSMDCVPSTGTFGYNSSCTFLCAEGFVLKGNDAIQCADSGQWTAPAPFCEALQCPEFPVPSKAQVNCSDPFGTLTYQSVCSFSCDEGSLLVGASVIRCLATGHWNGAPPECQAVSCAPMLSPENGSMTCVQPLGNSTYKSTCQFMCDEGFYLSGPERLDCSPSGHWTGTPPTCEAIKCPGIFAPEQGNLDCSHVHGEFGVGSICHFSCNEDFELLGSENVECTVSGRWSAPPPTCKGITSLPAPAVRCPALTTPGQGTMSCQHHLGSFGPNTTCYFGCKTGFTLRGANSLRCRASGQWTAVTPMCRAVKCSELHMDTAVAMNCSNPWGNFSYGSTCTFQCPEGQSLNGSVRATCREDGHWSDAMPTCQAGTLTIQEALTYLGGAVASTTGLAVGGTLLALLRKRLRKKDDGKCPLNPHSHLGTYGVFTNAAYDPTP
  
Inhibitor
Name:
BDBM50060511
Synonyms:
(R)-4-Methylcarbamoyl-4-[(S)-2-(2-tetradecyl-hexadecanoylamino)-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-propionylamino]-butyric acid | CHEMBL117327
Type:
Small organic molecule
Emp. Form.:
C45H85N3O10
Mol. Mass.:
828.1705
SMILES:
CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](COC1OC(C)C(O)C(O)C1O)C(=O)N[C@H](CCC(O)=O)C(=O)NC
Structure:
Search PDB for entries with ligand similarity: