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Target
Heat shock cognate 71 kDa protein
Ligand
BDBM50281174
Substrate
n/a
Meas. Tech.
ChEMBL_1722424 (CHEMBL4137424)
Kd
8250±n/a nM
Citation
 Shao, H; Li, X; Moses, MA; Gilbert, LA; Kalyanaraman, C; Young, ZT; Chernova, M; Journey, SN; Weissman, JS; Hann, B; Jacobson, MP; Neckers, L; Gestwicki, JE Exploration of Benzothiazole Rhodacyanines as Allosteric Inhibitors of Protein-Protein Interactions with Heat Shock Protein 70 (Hsp70). J Med Chem 61:6163-6177 (2018) [PubMed]  Article 
Target
Name:
Heat shock cognate 71 kDa protein
Synonyms:
HSC70 | HSP73 | HSP7C_HUMAN | HSPA10 | HSPA8 | heat shock 70kDa protein 8 isoform 1 | heat shock 70kDa protein 8 isoform 2
Type:
Enzyme Catalytic Domain
Mol. Mass.:
70887.67
Organism:
Homo sapiens (Human)
Description:
gi_5729877
Residue:
646
Sequence:
MSKGPAVGIDLGTTYSCVGVFQHGKVEIIANDQGNRTTPSYVAFTDTERLIGDAAKNQVAMNPTNTVFDAKRLIGRRFDDAVVQSDMKHWPFMVVNDAGRPKVQVEYKGETKSFYPEEVSSMVLTKMKEIAEAYLGKTVTNAVVTVPAYFNDSQRQATKDAGTIAGLNVLRIINEPTAAAIAYGLDKKVGAERNVLIFDLGGGTFDVSILTIEDGIFEVKSTAGDTHLGGEDFDNRMVNHFIAEFKRKHKKDISENKRAVRRLRTACERAKRTLSSSTQASIEIDSLYEGIDFYTSITRARFEELNADLFRGTLDPVEKALRDAKLDKSQIHDIVLVGGSTRIPKIQKLLQDFFNGKELNKSINPDEAVAYGAAVQAAILSGDKSENVQDLLLLDVTPLSLGIETAGGVMTVLIKRNTTIPTKQTQTFTTYSDNQPGVLIQVYEGERAMTKDNNLLGKFELTGIPPAPRGVPQIEVTFDIDANGILNVSAVDKSTGKENKITITNDKGRLSKEDIERMVQEAEKYKAEDEKQRDKVSSKNSLESYAFNMKATVEDEKLQGKINDEDKQKILDKCNEIINWLDKNQTAEKEEFEHQQKELEKVCNPIITKLYQSAGGMPGGMPGGFPGGGAPPSGGASSGPTIEEVD
  
Inhibitor
Name:
BDBM50281174
Synonyms:
CHEMBL4168736
Type:
Small organic molecule
Emp. Form.:
C23H18BrClF3N3O2S3
Mol. Mass.:
636.955
SMILES:
[Cl-].CCn1\c(=C\c2scc[n+]2Cc2ccc(o2)C(F)(F)F)s\c(=C2\Sc3cc(Br)ccc3N2C)c1=O
Structure:
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