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Target
Protein disulfide-isomerase
Ligand
BDBM104048
Substrate
n/a
Meas. Tech.
PDI Inhibition Assay
pH
7±n/a
IC50
1.1e+3± 8e+2 nM
Comments
extracted
Citation
 Ge, J; Zhang, CJ; Li, L; Chong, LM; Wu, X; Hao, P; Sze, SK; Yao, SQ Small molecule probe suitable for in situ profiling and inhibition of protein disulfide isomerase. ACS Chem Biol 8:2577-85 (2013) [PubMed]  Article 
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:
BDBM104048
Synonyms:
PDI inhibitor P11
Type:
Small organic molecule
Emp. Form.:
C37H50N6O9S2
Mol. Mass.:
786.958
SMILES:
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OS(=O)(=O)C=C)cc1)C(=O)NCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12 |r|
Structure:
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