Reaction Details |
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Target | E-selectin |
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Ligand | BDBM50056133 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_199855 (CHEMBL804919) |
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IC50 | 600000±n/a nM |
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Citation | Tsujishita, H; Hiramatsu, Y; Kondo, N; Ohmoto, H; Kondo, H; Kiso, M; Hasegawa, A Selectin-ligand interactions revealed by molecular dynamics simulation in solution. J Med Chem40:362-9 (1997) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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E-selectin |
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Name: | E-selectin |
Synonyms: | ELAM1 | LYAM2_HUMAN | SELE | Selectin | Selectin E |
Type: | PROTEIN |
Mol. Mass.: | 66642.96 |
Organism: | Homo sapiens (Human) |
Description: | ChEMBL_1438995 |
Residue: | 610 |
Sequence: | MIASQFLSALTLVLLIKESGAWSYNTSTEAMTYDEASAYCQQRYTHLVAIQNKEEIEYLN
SILSYSPSYYWIGIRKVNNVWVWVGTQKPLTEEAKNWAPGEPNNRQKDEDCVEIYIKREK
DVGMWNDERCSKKKLALCYTAACTNTSCSGHGECVETINNYTCKCDPGFSGLKCEQIVNC
TALESPEHGSLVCSHPLGNFSYNSSCSISCDRGYLPSSMETMQCMSSGEWSAPIPACNVV
ECDAVTNPANGFVECFQNPGSFPWNTTCTFDCEEGFELMGAQSLQCTSSGNWDNEKPTCK
AVTCRAVRQPQNGSVRCSHSPAGEFTFKSSCNFTCEEGFMLQGPAQVECTTQGQWTQQIP
VCEAFQCTALSNPERGYMNCLPSASGSFRYGSSCEFSCEQGFVLKGSKRLQCGPTGEWDN
EKPTCEAVRCDAVHQPPKGLVRCAHSPIGEFTYKSSCAFSCEEGFELHGSTQLECTSQGQ
WTEEVPSCQVVKCSSLAVPGKINMSCSGEPVFGTVCKFACPEGWTLNGSAARTCGATGHW
SGLLPTCEAPTESNIPLVAGLSAAGLSLLTLAPFLLWLRKCLRKAKKFVPASSCQSLESD
GSYQKPSYIL
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BDBM50056133 |
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n/a |
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Name | BDBM50056133 |
Synonyms: | 5-Acetylamino-2-(3,5-dihydroxy-2-hydroxymethyl-6-N-[2,5-Dihydroxy-6-hydroxymethyl-4-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yl]-acetamide-tetrahydro-pyran-4-yloxy)-4-hydroxy-6-(1,2,3-trihydroxy-propyl)-tetrahydro-pyran-2-carboxylic acid | CHEMBL407480 |
Type | Small organic molecule |
Emp. Form. | C31H52N2O23 |
Mol. Mass. | 820.7442 |
SMILES | CC1OC(OC2C(NC(C)=O)[C@@H](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 |
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