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Target
Protein disulfide-isomerase
Ligand
BDBM271334
Substrate
n/a
Meas. Tech.
Insulin reductase assay
IC50
>30000±n/a nM
Citation
 Flaumenhaft, R; Nag, PP; Pilyugina, T; Pu, J; Dandapani, S; Munoz, B; Dockendorff, C Compounds for use in methods for treating diseases or conditions mediated by protein disulfide isomerase US Patent  US10064853 Publication Date 9/4/2018 
Target
Name:
Protein disulfide-isomerase
Synonyms:
Cellular thyroid hormone-binding protein | ERBA2L | P4HB | PDI | PDIA1 | PDIA1_HUMAN | PO4DB | Protein Disulfide-Isomerase (PDI)
Type:
Protein
Mol. Mass.:
57084.91
Organism:
Homo sapiens (Human)
Description:
P07237
Residue:
508
Sequence:
MLRRALLCLAVAALVRADAPEEEDHVLVLRKSNFAEALAAHKYLLVEFYAPWCGHCKALAPEYAKAAGKLKAEGSEIRLAKVDATEESDLAQQYGVRGYPTIKFFRNGDTASPKEYTAGREADDIVNWLKKRTGPAATTLPDGAAAESLVESSEVAVIGFFKDVESDSAKQFLQAAEAIDDIPFGITSNSDVFSKYQLDKDGVVLFKKFDEGRNNFEGEVTKENLLDFIKHNQLPLVIEFTEQTAPKIFGGEIKTHILLFLPKSVSDYDGKLSNFKTAAESFKGKILFIFIDSDHTDNQRILEFFGLKKEECPAVRLITLEEEMTKYKPESEELTAERITEFCHRFLEGKIKPHLMSQELPEDWDKQPVKVLVGKNFEDVAFDEKKNVFVEFYAPWCGHCKQLAPIWDKLGETYKDHENIVIAKMDSTANEVEAVKVHSFPTLKFFPASADRTVIDYNGERTLDGFKKFLESGGQDGAGDDDDLEDLEEAEEPDMEEDDDQKAVKDEL
  
Inhibitor
Name:
BDBM271334
Synonyms:
US10064853, Compound 5
Type:
Small organic molecule
Emp. Form.:
C26H32ClNO4
Mol. Mass.:
457.99
SMILES:
CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(OCC=C)c(Cl)c2)CC1
Structure:
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