Reaction Details Report a problem with these data
Target
60 kDa heat shock protein, mitochondrial
Ligand
BDBM60996
Substrate
n/a
Meas. Tech.
ChEMBL_1891106 (CHEMBL4392933)
IC50
3200±n/a nM
Citation
 Stevens, M; Abdeen, S; Salim, N; Ray, AM; Washburn, A; Chitre, S; Sivinski, J; Park, Y; Hoang, QQ; Chapman, E; Johnson, SM HSP60/10 chaperonin systems are inhibited by a variety of approved drugs, natural products, and known bioactive molecules. Bioorg Med Chem Lett 29:1106-1112 (2019) [PubMed]  Article 
Target
Name:
60 kDa heat shock protein, mitochondrial
Synonyms:
3.6.4.9 | 60 kDa chaperonin | 60 kDa heat shock protein, mitochondrial | CH60_HUMAN | CPN60 | Chaperonin 60 | HSP-60 | HSP60 | HSP60/HSP10 | HSPD1 | Heat shock protein 60 | HuCHA60 | Mitochondrial matrix protein P1 | P60 lymphocyte protein
Type:
PROTEIN
Mol. Mass.:
61050.41
Organism:
Homo sapiens
Description:
ChEMBL_117701
Residue:
573
Sequence:
MLRLPTVFRQMRPVSRVLAPHLTRAYAKDVKFGADARALMLQGVDLLADAVAVTMGPKGRTVIIEQSWGSPKVTKDGVTVAKSIDLKDKYKNIGAKLVQDVANNTNEEAGDGTTTATVLARSIAKEGFEKISKGANPVEIRRGVMLAVDAVIAELKKQSKPVTTPEEIAQVATISANGDKEIGNIISDAMKKVGRKGVITVKDGKTLNDELEIIEGMKFDRGYISPYFINTSKGQKCEFQDAYVLLSEKKISSIQSIVPALEIANAHRKPLVIIAEDVDGEALSTLVLNRLKVGLQVVAVKAPGFGDNRKNQLKDMAIATGGAVFGEEGLTLNLEDVQPHDLGKVGEVIVTKDDAMLLKGKGDKAQIEKRIQEIIEQLDVTTSEYEKEKLNERLAKLSDGVAVLKVGGTSDVEVNEKKDRVTDALNATRAAVEEGIVLGGGCALLRCIPALDSLTPANEDQKIGIEIIKRTLKIPAMTIAKNAGVEGSLIVEKIMQSSSEVGYDAMAGDFVNMVEKGIIDPTKVVRTALLDAAGVASLLTTAEVVVTEIPKEEKDPGMGAMGGMGGGMGGGMF
  
Inhibitor
Name:
BDBM60996
Synonyms:
5-[(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-benzoic acid | 5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-hydroxybenzoic acid | 5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoic acid | 5-[(3-carboxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(3-carboxy-4-oxidanyl-phenyl)methyl]-2-oxidanyl-benzoic acid | Aurintricarboxylic acid | MLS002153482 | SMR000326731 | cid_2259
Type:
Small organic molecule
Emp. Form.:
C22H14O9
Mol. Mass.:
422.3412
SMILES:
[#8]-[#6](=O)-[#6]-1=[#6]\[#6](-[#6]=[#6]-[#6]-1=O)=[#6](\c1ccc(-[#8])c(c1)-[#6](-[#8])=O)-c1ccc(-[#8])c(c1)-[#6](-[#8])=O |c:6,t:3|
Structure:
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