Reaction Details Report a problem with these data
Target
Protein disulfide-isomerase
Ligand
BDBM41965
Substrate
n/a
Meas. Tech.
ChEMBL_2074276 (CHEMBL4729810)
IC50
340±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
More Info.:
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:
BDBM41965
Synonyms:
6-[(2-hydroxyphenyl)-(4-morpholinyl)methyl]-1,3-benzodioxol-5-ol | 6-[(2-hydroxyphenyl)-morpholin-4-yl-methyl]-1,3-benzodioxol-5-ol | 6-[(2-hydroxyphenyl)-morpholin-4-ylmethyl]-1,3-benzodioxol-5-ol | 6-[(2-hydroxyphenyl)-morpholino-methyl]sesamol | cid_381381
Type:
Small organic molecule
Emp. Form.:
C18H19NO5
Mol. Mass.:
329.3472
SMILES:
Oc1ccccc1C(N1CCOCC1)c1cc2OCOc2cc1O