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Target
Protein disulfide-isomerase
Ligand
BDBM41986
Substrate
n/a
Meas. Tech.
ChEMBL_2074276 (CHEMBL4729810)
IC50
300±n/a nM
Citation
 Shergalis, A; Xue, D; Gharbia, FZ; Driks, H; Shrestha, B; Tanweer, A; Cromer, K; Ljungman, M; Neamati, N Characterization of Aminobenzylphenols as Protein Disulfide Isomerase Inhibitors in Glioblastoma Cell Lines. J Med Chem 63:10263-10286 (2020) [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:
BDBM41986
Synonyms:
6-[(3,4-dimethoxyphenyl)-(4-morpholinyl)methyl]-1,3-benzodioxol-5-ol | 6-[(3,4-dimethoxyphenyl)-morpholin-4-yl-methyl]-1,3-benzodioxol-5-ol | 6-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-1,3-benzodioxol-5-ol | 6-[(3,4-dimethoxyphenyl)-morpholino-methyl]sesamol | cid_339886
Type:
Small organic molecule
Emp. Form.:
C20H23NO6
Mol. Mass.:
373.3997
SMILES:
COc1ccc(cc1OC)C(N1CCOCC1)c1cc2OCOc2cc1O
Structure:
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