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Target
Endoplasmic reticulum chaperone BiP
Ligand
BDBM32378
Substrate
n/a
Meas. Tech.
ChEMBL_1887315 (CHEMBL4388992)
IC50
800±n/a nM
Citation
 Ambrose, AJ; Zerio, CJ; Sivinski, J; Schmidlin, CJ; Shi, T; Ross, AB; Widrick, KJ; Johnson, SM; Zhang, DD; Chapman, E A high throughput substrate binding assay reveals hexachlorophene as an inhibitor of the ER-resident HSP70 chaperone GRP78. Bioorg Med Chem Lett 29:1689-1693 (2019) [PubMed]  Article 
Target
Name:
Endoplasmic reticulum chaperone BiP
Synonyms:
Heat shock protein family A member 5 | HSPA5 | HSP70 family protein 5 | BiP | GRP78 | 3.6.4.10 | 78 kDa glucose-regulated protein | Synonyms=GRP78 | Endoplasmic reticulum lumenal Ca(2+)-binding protein grp78 | BIP_HUMAN | Immunoglobulin heavy chain-binding protein | Heat shock 70 kDa protein 5 | Heat shock protein 70 family protein 5 | Binding-immunoglobulin protein | GRP-78
Type:
n/a
Mol. Mass.:
72312.92
Organism:
Human
Description:
P11021
Residue:
654
Sequence:
MKLSLVAAMLLLLSAARAEEEDKKEDVGTVVGIDLGTTYSCVGVFKNGRVEIIANDQGNRITPSYVAFTPEGERLIGDAAKNQLTSNPENTVFDAKRLIGRTWNDPSVQQDIKFLPFKVVEKKTKPYIQVDIGGGQTKTFAPEEISAMVLTKMKETAEAYLGKKVTHAVVTVPAYFNDAQRQATKDAGTIAGLNVMRIINEPTAAAIAYGLDKREGEKNILVFDLGGGTFDVSLLTIDNGVFEVVATNGDTHLGGEDFDQRVMEHFIKLYKKKTGKDVRKDNRAVQKLRREVEKAKRALSSQHQARIEIESFYEGEDFSETLTRAKFEELNMDLFRSTMKPVQKVLEDSDLKKSDIDEIVLVGGSTRIPKIQQLVKEFFNGKEPSRGINPDEAVAYGAAVQAGVLSGDQDTGDLVLLDVCPLTLGIETVGGVMTKLIPRNTVVPTKKSQIFSTASDNQPTVTIKVYEGERPLTKDNHLLGTFDLTGIPPAPRGVPQIEVTFEIDVNGILRVTAEDKGTGNKNKITITNDQNRLTPEEIERMVNDAEKFAEEDKKLKERIDTRNELESYAYSLKNQIGDKEKLGGKLSSEDKETMEKAVEEKIEWLESHQDADIEDFKAKKKELEEIVQPIISKLYGSAGPPPTGEEDTAEKDEL
  
Inhibitor
Name:
BDBM32378
Synonyms:
adenosine-derived inhibitor (Grp78), 13 | adenosine-derived inhibitor, 12
Type:
Small organic molecule
Emp. Form.:
C25H23Cl2N7O4
Mol. Mass.:
555.12
SMILES:
Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C#N)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)c(Cl)c3)nc12 |r|
Structure:
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