Ki Summary

Reaction Details

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Target

E-selectin

Ligand

BDBM50288834

Substrate/Competitor

n/a

Meas. Tech.

ChEBML_199691

IC50

280000±n/a nM

Citation

Sprengard, U; Kunz, H; Hüls, C; Schmidt, W; Seiffge, D; Kretzshmar, G Synthesis and biological activity of novel sialyl-lewis^X conjugates Bioorg Med Chem Lett6:509-514 (1996) 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

BDBM50288834

n/a

Name

BDBM50288834

Synonyms:

CHEMBL3215417 | CHEMBL413369 | Sialyl-LewisX Conjugate

Type

Small organic molecule

Emp. Form.

C49H78N4O26

Mol. Mass.

1139.1548

SMILES

C[C@@H]1O[C@@H](O[C@@H]2[C@H](NC(C)=O)[C@H](OCCCCCCNC(=O)[C@H]3CC[C@H](CN4C(=O)C=CC4=O)CC3)O[C@@H](CO)[C@H]2O[C@@H]2O[C@@H](CO)[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]2O)[C@@H](O)[C@@H](O)[C@@H]1O |wU:49.52,51.64,5.4,42.44,6.6,55.58,22.21,71.76,47.50,77.83,11.11,62.66,53.56,1.0,wD:3.3,40.43,51.53,60.65,25.25,73.78,75.80,37.39,64.68,44.47,c:30,(10.58,2.63,;11.91,1.86,;11.91,.32,;13.25,-.45,;13.25,-1.99,;11.91,-2.76,;10.58,-1.99,;10.58,-.45,;9.25,.32,;9.25,1.86,;7.91,-.45,;9.25,-2.76,;7.91,-1.99,;6.58,-2.76,;5.25,-1.99,;3.91,-2.76,;2.58,-1.99,;1.24,-2.76,;-.09,-1.99,;-1.42,-2.76,;-2.76,-1.99,;-2.76,-.45,;-4.09,-2.76,;-4.09,-4.3,;-5.42,-5.07,;-6.76,-4.3,;-8.09,-5.07,;-9.42,-4.3,;-9.59,-2.77,;-8.44,-1.74,;-11.09,-2.45,;-11.86,-3.78,;-10.83,-4.93,;-11.15,-6.43,;-6.76,-2.76,;-5.42,-1.99,;9.25,-4.3,;10.58,-5.07,;10.58,-6.61,;9.25,-7.38,;11.91,-4.3,;13.25,-5.07,;13.25,-6.61,;11.91,-7.38,;11.91,-8.92,;10.58,-9.69,;10.58,-11.23,;13.25,-9.69,;13.25,-11.23,;14.58,-8.92,;15.92,-9.69,;15.92,-11.23,;16.44,-12.68,;15.45,-13.86,;15.98,-15.3,;13.94,-13.59,;12.95,-14.77,;13.47,-16.22,;14.99,-16.48,;12.48,-17.4,;13.41,-12.14,;14.4,-10.96,;11.89,-11.87,;11.37,-10.43,;10.9,-13.05,;11.43,-14.5,;9.39,-12.79,;8.4,-13.97,;17.43,-10.96,;17.96,-9.52,;18.42,-12.14,;14.58,-7.38,;15.92,-6.61,;14.58,.32,;15.92,-.45,;14.58,1.86,;15.92,2.63,;13.25,2.63,;13.25,4.17,)|

Structure