Ki Summary

Reaction Details

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Target

P-selectin

Ligand

BDBM50056133

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_200028 (CHEMBL810717)

IC50

>1000000±n/a nM

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

More Info.:

Get all data from this article, Assay Method

P-selectin

Name:

P-selectin

Synonyms:

Type:

PROTEIN

Mol. Mass.:

90834.61

Organism:

Homo sapiens (Human)

Description:

ChEMBL_1438999

Residue:

830

Sequence:

MANCQIAILYQRFQRVVFGISQLLCFSALISELTNQKEVAAWTYHYSTKAYSWNISRKYC
QNRYTDLVAIQNKNEIDYLNKVLPYYSSYYWIGIRKNNKTWTWVGTKKALTNEAENWADN
EPNNKRNNEDCVEIYIKSPSAPGKWNDEHCLKKKHALCYTASCQDMSCSKQGECLETIGN
YTCSCYPGFYGPECEYVRECGELELPQHVLMNCSHPLGNFSFNSQCSFHCTDGYQVNGPS
KLECLASGIWTNKPPQCLAAQCPPLKIPERGNMTCLHSAKAFQHQSSCSFSCEEGFALVG
PEVVQCTASGVWTAPAPVCKAVQCQHLEAPSEGTMDCVHPLTAFAYGSSCKFECQPGYRV
RGLDMLRCIDSGHWSAPLPTCEAISCEPLESPVHGSMDCSPSLRAFQYDTNCSFRCAEGF
MLRGADIVRCDNLGQWTAPAPVCQALQCQDLPVPNEARVNCSHPFGAFRYQSVCSFTCNE
GLLLVGASVLQCLATGNWNSVPPECQAIPCTPLLSPQNGTMTCVQPLGSSSYKSTCQFIC
DEGYSLSGPERLDCTRSGRWTDSPPMCEAIKCPELFAPEQGSLDCSDTRGEFNVGSTCHF
SCDNGFKLEGPNNVECTTSGRWSATPPTCKGIASLPTPGLQCPALTTPGQGTMYCRHHPG
TFGFNTTCYFGCNAGFTLIGDSTLSCRPSGQWTAVTPACRAVKCSELHVNKPIAMNCSNL
WGNFSYGSICSFHCLEGQLLNGSAQTACQENGHWSTTVPTCQAGPLTIQEALTYFGGAVA
STIGLIMGGTLLALLRKRFRQKDDGKCPLNPHSHLGTYGVFTNAAFDPSP

BDBM50056133

n/a

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