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Target
CD44 antigen
Ligand
BDBM50008912
Substrate
n/a
Meas. Tech.
ChEMBL_1337581 (CHEMBL3242490)
IC50
36000±n/a nM
Citation
 Liu, LK; Finzel, BC Fragment-based identification of an inducible binding site on cell surface receptor CD44 for the design of protein-carbohydrate interaction inhibitors. J Med Chem 57:2714-25 (2014) [PubMed]  Article 
Target
Name:
CD44 antigen
Synonyms:
CD44 | CD44_HUMAN | CD_antigen=CD44 | CDw44 | ECMR-III | Epican | Extracellular matrix receptor III | GP90 lymphocyte homing/adhesion receptor | HUTCH-I | Heparan sulfate proteoglycan | Hermes antigen | Hyaluronate receptor | LHR | MDU2 | MDU3 | MIC4 | PGP-1 | PGP-I | Phagocytic glycoprotein 1 | Phagocytic glycoprotein I
Type:
PROTEIN
Mol. Mass.:
81511.49
Organism:
Homo sapiens (Human)
Description:
ChEMBL_108280
Residue:
742
Sequence:
MDKFWWHAAWGLCLVPLSLAQIDLNITCRFAGVFHVEKNGRYSISRTEAADLCKAFNSTLPTMAQMEKALSIGFETCRYGFIEGHVVIPRIHPNSICAANNTGVYILTSNTSQYDTYCFNASAPPEEDCTSVTDLPNAFDGPITITIVNRDGTRYVQKGEYRTNPEDIYPSNPTDDDVSSGSSSERSSTSGGYIFYTFSTVHPIPDEDSPWITDSTDRIPATTLMSTSATATETATKRQETWDWFSWLFLPSESKNHLHTTTQMAGTSSNTISAGWEPNEENEDERDRHLSFSGSGIDDDEDFISSTISTTPRAFDHTKQNQDWTQWNPSHSNPEVLLQTTTRMTDVDRNGTTAYEGNWNPEAHPPLIHHEHHEEEETPHSTSTIQATPSSTTEETATQKEQWFGNRWHEGYRQTPKEDSHSTTGTAAASAHTSHPMQGRTTPSPEDSSWTDFFNPISHPMGRGHQAGRRMDMDSSHSITLQPTANPNTGLVEDLDRTGPLSMTTQQSNSQSFSTSHEGLEEDKDHPTTSTLTSSNRNDVTGGRRDPNHSEGSTTLLEGYTSHYPHTKESRTFIPVTSAKTGSFGVTAVTVGDSNSNVNRSLSGDQDTFHPSGGSHTTHGSESDGHSHGSQEGGANTTSGPIRTPQIPEWLIILASLLALALILAVCIAVNSRRRCGQKKKLVINSGNGAVEDRKPSGLNGEASKSQEMVHLVNKESSETPDQFMTADETRNLQNVDMKIGV
  
Inhibitor
Name:
BDBM50008912
Synonyms:
CHEMBL3237623
Type:
Small organic molecule
Emp. Form.:
C84H128N6O67
Mol. Mass.:
2293.9151
SMILES:
[H][C@@]1(O[C@H]2[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]3[C@H](O)[C@@H](O)[C@]([H])(O[C@H]4[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]5[C@H](O)[C@@H](O)[C@]([H])(O[C@H]6[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]7[C@H](O)[C@@H](O)[C@]([H])(O[C@H]8[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]9[C@H](O)[C@@H](O)[C@]([H])(O[C@H]%10[C@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]%11[C@H](O)[C@@H](O)[C@H](O)O[C@@H]%11C(O)=O)[C@@H]%10NC(C)=O)O[C@@H]9C(O)=O)[C@@H]8NC(C)=O)O[C@@H]7C(O)=O)[C@@H]6NC(C)=O)O[C@@H]5C(O)=O)[C@@H]4NC(C)=O)O[C@@H]3C(O)=O)[C@@H]2NC(C)=O)O[C@@H]([C@@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O |r|
Structure:
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