| Reaction Details |
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 | Report a problem with these data |
| Target | Protein disulfide-isomerase |
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| Ligand | BDBM41982 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2074276 (CHEMBL4729810) |
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| IC50 | 640±n/a nM |
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| 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 Chem63:10263-10286 (2020) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Protein disulfide-isomerase |
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| Name: | Protein disulfide-isomerase |
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| Synonyms: | Cellular thyroid hormone-binding protein | ERBA2L | P4HB | PDI | PDIA1 | PDIA1_HUMAN | PO4DB | Protein Disulfide-Isomerase (PDI) |
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| Type: | Protein |
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| Mol. Mass.: | 57084.91 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P07237 |
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| Residue: | 508 |
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| Sequence: | MLRRALLCLAVAALVRADAPEEEDHVLVLRKSNFAEALAAHKYLLVEFYAPWCGHCKALA
PEYAKAAGKLKAEGSEIRLAKVDATEESDLAQQYGVRGYPTIKFFRNGDTASPKEYTAGR
EADDIVNWLKKRTGPAATTLPDGAAAESLVESSEVAVIGFFKDVESDSAKQFLQAAEAID
DIPFGITSNSDVFSKYQLDKDGVVLFKKFDEGRNNFEGEVTKENLLDFIKHNQLPLVIEF
TEQTAPKIFGGEIKTHILLFLPKSVSDYDGKLSNFKTAAESFKGKILFIFIDSDHTDNQR
ILEFFGLKKEECPAVRLITLEEEMTKYKPESEELTAERITEFCHRFLEGKIKPHLMSQEL
PEDWDKQPVKVLVGKNFEDVAFDEKKNVFVEFYAPWCGHCKQLAPIWDKLGETYKDHENI
VIAKMDSTANEVEAVKVHSFPTLKFFPASADRTVIDYNGERTLDGFKKFLESGGQDGAGD
DDDLEDLEEAEEPDMEEDDDQKAVKDEL
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| BDBM41982 |
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| n/a |
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| Name | BDBM41982 |
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| Synonyms: | 6-[4-morpholinyl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol | 6-[morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol | 6-[morpholino-(3,4,5-trimethoxyphenyl)methyl]sesamol | cid_339894 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H25NO7 |
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| Mol. Mass. | 403.4257 |
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| SMILES | COc1cc(cc(OC)c1OC)C(N1CCOCC1)c1cc2OCOc2cc1O |
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| Structure | 
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