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Target
Malate dehydrogenase
Ligand
BDBM50126829
Substrate
n/a
Meas. Tech.
ChEMBL_103875 (CHEMBL712992)
IC50
700±n/a nM
Citation
 McGovern, SL; Shoichet, BK Kinase inhibitors: not just for kinases anymore. J Med Chem 46:1478-83 (2003) [PubMed]  Article 
Target
Name:
Malate dehydrogenase
Synonyms:
MDH_THETH | mdh
Type:
PROTEIN
Mol. Mass.:
35423.44
Organism:
Thermus thermophilus
Description:
ChEMBL_1448377
Residue:
327
Sequence:
MKAPVRVAVTGAAGQIGYSLLFRIAAGEMLGKDQPVILQLLEIPQAMKALEGVVMELEDCAFPLLAGLEATDDPKVAFKDADYALLVGAAPRKAGMERRDLLQVNGKIFTEQGRALAEVAKKDVKVLVVGNPANTNALIAYKNAPGLNPRNFTAMTRLDHNRAKAQLAKKTGTGVDRIRRMTVWGNHSSTMFPDLFHAEVDGRPALELVDMEWYEKVFIPTVAQRGAAIIQARGASSAASAANAAIEHIRDWALGTPEGDWVSMAVPSQGEYGIPEGIVYSFPVTAKDGAYRVVEGLEINEFARKRMEITAQELLDEMEQVKALGLI
  
Inhibitor
Name:
BDBM50126829
Synonyms:
(E)-1-(6-(3-acetyl-2,4,6-trihydroxy-5-methylbenzyl)-5,7-dihydroxy-2,2-dimethyl-2H-chromen-8-yl)-3-phenylprop-2-en-1-one | 1-(6-(3-acetyl-2,4,6-trihydroxy-5-methylbenzyl)-5,7-dihydroxy-2,2-dimethyl-2H-chromen-8-yl)-3-phenylprop-2-en-1-one | 1-[6-(3-Acetyl-2,4,6-trihydroxy-5-methyl-benzyl)-5,7-dihydroxy-2,2-dimethyl-2H-chromen-8-yl]-3-phenyl-propenone | CHEMBL34241 | R5648 (Rottlerin) | ROTTLERIN
Type:
Small organic molecule
Emp. Form.:
C30H28O8
Mol. Mass.:
516.5385
SMILES:
CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3C=CC(C)(C)Oc3c(C(=O)C=Cc3ccccc3)c2O)c1O |w:26.26,c:16|
Structure:
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