Reaction Details
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P-selectin
Ligand
BDBM50288934
Substrate
n/a
Meas. Tech.
ChEMBL_147990 (CHEMBL754115)
IC50
>1000±n/a nM
Citation
Slee, DH; Romano, SJ; Yu, J; Nguyen, TN; John, JK; Raheja, NK; Axe, FU; Jones, TK; Ripka, WC Development of potent non-carbohydrate imidazole-based small molecule selectin inhibitors with antiinflammatory activity. J Med Chem 44:2094-107 (2001) [PubMed] Article More Info.:
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:
BDBM50288934
Synonyms:
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 | 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 | 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 | 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 | CHEMBL31535 | Sialyl LeX | Sialyl Lewis X Analog(sLeX) | Sialyl Lewis X Mimetic | Sialyl Lewis x (sLex) | Sialyl lewis-x | sLex | sialyl Lewis X(sLe x)
Type:
Small organic molecule
Emp. Form.:
C31H52N2O23
Mol. Mass.:
820.7442
SMILES:
CC1OC(OC2C(NC(C)=O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@@H](O)[C@H](O)CO)C(O)=O)C2O)C(O)C(O)C1O
Structure:
