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Target
Endoplasmic reticulum chaperone BiP
Ligand
BDBM50617289
Substrate
n/a
Meas. Tech.
ChEMBL_2311423
Kd
334±n/a nM
Citation
 Ambrose, AJ; Sivinski, J; Zerio, CJ; Zhu, X; Godek, J; Kumirov, VK; Coma Brujas, T; Torra Garcia, J; Annadurai, A; Schmidlin, CJ; Werner, A; Shi, T; Zavareh, RB; Lairson, L; Zhang, DD; Chapman, E Discovery and Development of a Selective Inhibitor of the ER Resident Chaperone Grp78. J Med Chem 66:677-694 (2023) [PubMed] 
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:
BDBM50617289
Synonyms:
CHEMBL5431926
Type:
Small organic molecule
Emp. Form.:
C67H68N12O12S
Mol. Mass.:
1265.42
SMILES:
CC(C)[C@H](NC(=O)c1cc2cc(ccc2[nH]1)-n1nnc-2c1-c1ccccc1N(Cc1ccccc-21)C(=O)CCNC(=O)CCOCCOCCOCCOCCNC(=O)c1ccc(C2C3C=CC(=N)C=C3Oc3cc(N)ccc23)c(c1)C(O)=O)C(=O)Nc1nccs1 |r,c:71,75|
Structure:
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