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Target
Calnexin
Ligand
BDBM50421603
Substrate
n/a
Meas. Tech.
ChEBML_70497
IC50
300000±n/a nM
Citation
 Cherif, S; Leach, MR; Williams, DB; Monneret, C Synthesis of a molecular mimic of the Glc1Man9 oligoside as potential inhibitor of calnexin binding to DeltaF508 CFTR protein. Bioorg Med Chem Lett 12:1237-40 (2002) [PubMed]  Article 
Target
Name:
Calnexin
Synonyms:
IP90 | Major histocompatibility complex class I antigen-binding protein p88 | p90 | CALX_HUMAN | CANX
Type:
PROTEIN
Mol. Mass.:
67509.54
Organism:
Human
Description:
ChEMBL_70497
Residue:
592
Sequence:
MEGKWLLCMLLVLGTAIVEAHDGHDDDVIDIEDDLDDVIEEVEDSKPDTTAPPSSPKVTYKAPVPTGEVYFADSFDRGTLSGWILSKAKKDDTDDEIAKYDGKWEVEEMKESKLPGDKGLVLMSRAKHHAISAKLNKPFLFDTKPLIVQYEVNFQNGIECGGAYVKLLSKTPELNLDQFHDKTPYTIMFGPDKCGEDYKLHFIFRHKNPKTGIYEEKHAKRPDADLKTYFTDKKTHLYTLILNPDNSFEILVDQSVVNSGNLLNDMTPPVNPSREIEDPEDRKPEDWDERPKIPDPEAVKPDDWDEDAPAKIPDEEATKPEGWLDDEPEYVPDPDAEKPEDWDEDMDGEWEAPQIANPRCESAPGCGVWQRPVIDNPNYKGKWKPPMIDNPSYQGIWKPRKIPNPDFFEDLEPFRMTPFSAIGLELWSMTSDIFFDNFIICADRRIVDDWANDGWGLKKAADGAAEPGVVGQMIEAAEERPWLWVVYILTVALPVFLVILFCCSGKKQTSGMEYKKTDAPQPDVKEEEEEKEEEKDKGDEEEEGEEKLEEKQKSDAEEDGGTVSQEEEDRKPKAEEDEILNRSPRNRKPRRE
  
Inhibitor
Name:
BDBM50421603
Synonyms:
CHEMBL2303776
Type:
Small organic molecule
Emp. Form.:
C44H75N7O35
Mol. Mass.:
1262.09
SMILES:
OC[C@@H]1C[C@H](OC(=O)NCCOCCOC(=O)NC(O)NC(=O)OC(CNC(=O)OCCNC(=O)O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CNC(=O)OCCNC(=O)O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O |r|
Structure:
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