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Target
P-selectin
Ligand
BDBM50288934
Substrate
n/a
Meas. Tech.
ChEMBL_649918 (CHEMBL1219616)
IC50
3400000±n/a nM
Citation
 Huang, A; Moretto, A; Janz, K; Lowe, M; Bedard, PW; Tam, S; Di, L; Clerin, V; Sushkova, N; Tchernychev, B; Tsao, DH; Keith, JC; Shaw, GD; Schaub, RG; Wang, Q; Kaila, N Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury. J Med Chem 53:6003-17 (2010) [PubMed]  Article 
Target
Name:
P-selectin
Synonyms:
P-selectin | LYAM3_HUMAN | SELP | GMRP | GRMP | P-selectin/P-selectin glycoprotein ligand 1
Type:
PROTEIN
Mol. Mass.:
90834.61
Organism:
Human
Description:
ChEMBL_1438999
Residue:
830
Sequence:
MANCQIAILYQRFQRVVFGISQLLCFSALISELTNQKEVAAWTYHYSTKAYSWNISRKYCQNRYTDLVAIQNKNEIDYLNKVLPYYSSYYWIGIRKNNKTWTWVGTKKALTNEAENWADNEPNNKRNNEDCVEIYIKSPSAPGKWNDEHCLKKKHALCYTASCQDMSCSKQGECLETIGNYTCSCYPGFYGPECEYVRECGELELPQHVLMNCSHPLGNFSFNSQCSFHCTDGYQVNGPSKLECLASGIWTNKPPQCLAAQCPPLKIPERGNMTCLHSAKAFQHQSSCSFSCEEGFALVGPEVVQCTASGVWTAPAPVCKAVQCQHLEAPSEGTMDCVHPLTAFAYGSSCKFECQPGYRVRGLDMLRCIDSGHWSAPLPTCEAISCEPLESPVHGSMDCSPSLRAFQYDTNCSFRCAEGFMLRGADIVRCDNLGQWTAPAPVCQALQCQDLPVPNEARVNCSHPFGAFRYQSVCSFTCNEGLLLVGASVLQCLATGNWNSVPPECQAIPCTPLLSPQNGTMTCVQPLGSSSYKSTCQFICDEGYSLSGPERLDCTRSGRWTDSPPMCEAIKCPELFAPEQGSLDCSDTRGEFNVGSTCHFSCDNGFKLEGPNNVECTTSGRWSATPPTCKGIASLPTPGLQCPALTTPGQGTMYCRHHPGTFGFNTTCYFGCNAGFTLIGDSTLSCRPSGQWTAVTPACRAVKCSELHVNKPIAMNCSNLWGNFSYGSICSFHCLEGQLLNGSAQTACQENGHWSTTVPTCQAGPLTIQEALTYFGGAVASTIGLIMGGTLLALLRKRFRQKDDGKCPLNPHSHLGTYGVFTNAAFDPSP
  
Inhibitor
Name:
BDBM50288934
Synonyms:
5-Acetylamino-2-{2-[5-acetylamino-2-hydroxy-4-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yloxy]-3,5-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-4-yloxy}-4-hydroxy-6-(1,2,3-trihydroxy-propyl)-tetrahydro-pyran-2-carboxylic acid | Sialyl Lewis X Analog(sLeX) | 2-[3,5-dihydroxy-2-(6-hydroxy-2-hydroxymethyl-4-oxy-(3-methyltetrahydro-2H-4,5,6-pyrantriol)-5-methylcarboxamidotetrahydro-2H-3-pyranyloxy)-6-hydroxymethyltetrahydro-2H-4-pyranyloxy]-4-hydroxy-5-methylcarboxamido-6-(1,2,3-trihydroxypropyl)tetrahydro-2H-2-pyrancarboxylic acid | Sialyl Lewis X Mimetic | sialyl Lewis X(sLe x) | Sialyl lewis-x | sLex | Sialyl Lewis x (sLex) | Sialyl LeX | 5-Acetylamino-2-{2-[5-acetylamino-6-hydroxy-2-hydroxymethyl-4-(3,4,5-trihydroxy-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yloxy]-3,5,6-trihydroxy-tetrahydro-pyran-4-yloxy}-4-hydroxy-6-(1,2,3-trihydroxy-propyl)-tetrahydro-pyran-2-carboxylic acid | 5-Acetylamino-2-[[2-(5-acetylamino-4,6-dihydroxy-2-hydroxymethyl-tetrahydro-pyran-3-yloxy)-3,5-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-4-yloxy]-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)]-4-hydroxy-6-(1,2,3-trihydroxy-propyl)-tetrahydro-pyran-2-carboxylic acid | CHEMBL31535
Type:
Small organic molecule
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
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