Reaction Details |
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Target | E-selectin |
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Ligand | BDBM50288934 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_199877 (CHEMBL803778) |
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IC50 | 580000±n/a nM |
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Citation | Hiramatsu, Y; Tsukida, T; Nakai, Y; Inoue, Y; Kondo, H Study on selectin blocker. 8. Lead discovery of a non-sugar antagonist using a 3D-pharmacophore model. J Med Chem43:1476-83 (2000) [PubMed] |
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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: | Elam-1 | LYAM2_MOUSE | Sele | Selectin E |
Type: | PROTEIN |
Mol. Mass.: | 66749.86 |
Organism: | Mus musculus |
Description: | ChEMBL_199837 |
Residue: | 612 |
Sequence: | MNASRFLSALVFVLLAGESTAWYYNASSELMTYDEASAYCQRDYTHLVAIQNKEEINYLN
SNLKHSPSYYWIGIRKVNNVWIWVGTGKPLTEEAQNWAPGEPNNKQRNEDCVEIYIQRTK
DSGMWNDERCNKKKLALCYTASCTNASCSGHGECIETINSYTCKCHPGFLGPNCEQAVTC
KPQEHPDYGSLNCSHPFGPFSYNSSCSFGCKRGYLPSSMETTVRCTSSGEWSAPAPACHV
VECEALTHPAHGIRKCSSNPGSYPWNTTCTFDCVEGYRRVGAQNLQCTSSGIWDNETPSC
KAVTCDAIPQPQNGFVSCSHSTAGELAFKSSCNFTCEQSFTLQGPAQVECSAQGQWTPQI
PVCKAVQCEALSAPQQGNMKCLPSASGPFQNGSSCEFSCEEGFELKGSRRLQCGPRGEWD
SKKPTCSAVKCDDVPRPQNGVMECAHATTGEFTYKSSCAFQCNEGFSLHGSAQLECTSQG
KWTQEVPSCQVVQCPSLDVPGKMNMSCSGTAVFGTVCEFTCPDDWTLNGSAVLTCGATGR
WSGMPPTCEAPVSPTRPLVVALSAAGTSLLTSSSLLYLLMRYFRKKAKKFVPASSCQSLQ
SFENYHVPSYNV
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BDBM50288934 |
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n/a |
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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 |
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