Ki Summary

Reaction Details

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Target

E-selectin

Ligand

BDBM50168304

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_306413 (CHEMBL827876)

IC50

>50000000±n/a nM

Citation

Girard, C; Dourlat, J; Savarin, A; Surcin, C; Leue, S; Escriou, V; Largeau, C; Herscovici, J; Scherman, D Sialyl Lewis(x) analogs based on a quinic acid scaffold as the fucose mimic. Bioorg Med Chem Lett15:3224-8 (2005) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

E-selectin

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

BDBM50168304

n/a

Name

BDBM50168304

Synonyms:

2-[((3R,5R)-1,3,5-Trihydroxy-4-(S)-hydroxy-cyclohexanecarbonyl)-amino]-propionic acid | CHEMBL190092

Type

Small organic molecule

Emp. Form.

C10H17NO7

Mol. Mass.

263.2445

SMILES

C[C@H](NC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@H](O)C1)C(O)=O |wU:5.5,10.10,12.12,wD:5.4,8.8,1.0,(-2.28,2.47,;-2.28,.93,;-.94,.16,;.4,.93,;.4,2.47,;1.74,.16,;3.07,.93,;.41,-.62,;.41,-2.17,;-.95,-2.95,;1.74,-2.95,;1.74,-4.49,;3.07,-2.17,;4.43,-2.95,;3.07,-.62,;-3.62,.16,;-4.95,.93,;-3.62,-1.4,)|

Structure