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Target
Heat shock 70 kDa protein 1-like
Ligand
BDBM50617289
Substrate
n/a
Meas. Tech.
ChEMBL_2311421
Kd
>25000±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:
Heat shock 70 kDa protein 1-like
Synonyms:
Heat shock 70 kDa protein 1-Hom | Heat shock 70 kDa protein 1-like | Heat shock 70 kDa protein 1L | Heat shock protein family A member 1L | HSP70-Hom | HSPA1L
Type:
PROTEIN
Mol. Mass.:
70370.18
Organism:
Homo sapiens
Description:
ChEMBL_121306
Residue:
641
Sequence:
MATAKGIAIGIDLGTTYSCVGVFQHGKVEIIANDQGNRTTPSYVAFTDTERLIGDAAKNQVAMNPQNTVFDAKRLIGRKFNDPVVQADMKLWPFQVINEGGKPKVLVSYKGENKAFYPEEISSMVLTKLKETAEAFLGHPVTNAVITVPAYFNDSQRQATKDAGVIAGLNVLRIINEPTAAAIAYGLDKGGQGERHVLIFDLGGGTFDVSILTIDDGIFEVKATAGDTHLGGEDFDNRLVSHFVEEFKRKHKKDISQNKRAVRRLRTACERAKRTLSSSTQANLEIDSLYEGIDFYTSITRARFEELCADLFRGTLEPVEKALRDAKMDKAKIHDIVLVGGSTRIPKVQRLLQDYFNGRDLNKSINPDEAVAYGAAVQAAILMGDKSEKVQDLLLLDVAPLSLGLETAGGVMTALIKRNSTIPTKQTQIFTTYSDNQPGVLIQVYEGERAMTKDNNLLGRFDLTGIPPAPRGVPQIEVTFDIDANGILNVTATDKSTGKVNKITITNDKGRLSKEEIERMVLDAEKYKAEDEVQREKIAAKNALESYAFNMKSVVSDEGLKGKISESDKNKILDKCNELLSWLEVNQLAEKDEFDHKRKELEQMCNPIITKLYQGGCTGPACGTGYVPGRPATGPTIEEVD
  
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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