| Reaction Details |
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 | Report a problem with these data |
| Target | E-selectin |
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| Ligand | BDBM50050461 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_60884 (CHEMBL673531) |
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| IC50 | >1000000±n/a nM |
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| Citation |  Ohmoto, H; Nakamura, K; Inoue, T; Kondo, N; Inoue, Y; Yoshino, K; Kondo, H; Ishida, H; Kiso, M; Hasegawa, A Studies on selectin blocker. 1. Structure-activity relationships of sialyl Lewis X analogs. J Med Chem39:1339-43 (1996) [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 |
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| Synonyms: | ELAM1 | LYAM2_HUMAN | SELE | Selectin | Selectin E |
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| Type: | PROTEIN |
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| Mol. Mass.: | 66642.96 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_1438995 |
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| Residue: | 610 |
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| Sequence: | MIASQFLSALTLVLLIKESGAWSYNTSTEAMTYDEASAYCQQRYTHLVAIQNKEEIEYLN
SILSYSPSYYWIGIRKVNNVWVWVGTQKPLTEEAKNWAPGEPNNRQKDEDCVEIYIKREK
DVGMWNDERCSKKKLALCYTAACTNTSCSGHGECVETINNYTCKCDPGFSGLKCEQIVNC
TALESPEHGSLVCSHPLGNFSYNSSCSISCDRGYLPSSMETMQCMSSGEWSAPIPACNVV
ECDAVTNPANGFVECFQNPGSFPWNTTCTFDCEEGFELMGAQSLQCTSSGNWDNEKPTCK
AVTCRAVRQPQNGSVRCSHSPAGEFTFKSSCNFTCEEGFMLQGPAQVECTTQGQWTQQIP
VCEAFQCTALSNPERGYMNCLPSASGSFRYGSSCEFSCEQGFVLKGSKRLQCGPTGEWDN
EKPTCEAVRCDAVHQPPKGLVRCAHSPIGEFTYKSSCAFSCEEGFELHGSTQLECTSQGQ
WTEEVPSCQVVKCSSLAVPGKINMSCSGEPVFGTVCKFACPEGWTLNGSAARTCGATGHW
SGLLPTCEAPTESNIPLVAGLSAAGLSLLTLAPFLLWLRKCLRKAKKFVPASSCQSLESD
GSYQKPSYIL
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| BDBM50050461 |
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| n/a |
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| Name | BDBM50050461 |
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| Synonyms: | 5-(2-{2-[5-Acetylamino-2-hydroxymethyl-4-(2,3,4-trihydroxy-5-methoxy-hexyloxy)-tetrahydro-pyran-3-yloxy]-3,5-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-4-yloxy}-acetylamino)-2,4-dihydroxy-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 | CHEMBL175597 |
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| Type | Small organic molecule |
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| Emp. Form. | C30H50N2O22 |
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| Mol. Mass. | 790.7182 |
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| SMILES | C[C@@H]1O[C@@H](O[C@@H]2[C@H](CO[C@H](CO)[C@H]2O[C@@H]2O[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]2O)NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O |
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| Structure | 
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