Target
Malate dehydrogenase, cytoplasmic
Ligand
BDBM50250248
Substrate
n/a
Meas. Tech.
ChEBML_1681382
IC50
9580±n/a nM
Citation
 Naik, RBan, HSJang, KKim, IXu, XHarmalkar, DShin, SAKim, MKim, BKPark, JKu, BOh, SWon, MLee, K Methyl 3-(3-(4-(2,4,4-Trimethylpentan-2-yl)phenoxy)-propanamido)benzoate as a Novel and Dual Malate Dehydrogenase (MDH) 1/2 Inhibitor Targeting Cancer Metabolism. J Med Chem 60:8631-8646 (2017) [PubMed]  Article 
Target
Name:
Malate dehydrogenase, cytoplasmic
Synonyms:
Cytosolic malate dehydrogenase | MDH1 | MDHA | MDHC_HUMAN | Malate dehydrogenase cytoplasmic | Malate dehydrogenase, cytoplasmic
Type:
PROTEIN
Mol. Mass.:
36427.72
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1456624
Residue:
334
Sequence:
MSEPIRVLVTGAAGQIAYSLLYSIGNGSVFGKDQPIILVLLDITPMMGVLDGVLMELQDCALPLLKDVIATDKEDVAFKDLDVAILVGSMPRREGMERKDLLKANVKIFKSQGAALDKYAKKSVKVIVVGNPANTNCLTASKSAPSIPKENFSCLTRLDHNRAKAQIALKLGVTANDVKNVIIWGNHSSTQYPDVNHAKVKLQGKEVGVYEALKDDSWLKGEFVTTVQQRGAAVIKARKLSSAMSAAKAICDHVRDIWFGTPEGEFVSMGVISDGNSYGVPDDLLYSFPVVIKNKTWKFVEGLPINDFSREKMDLTAKELTEEKESAFEFLSSA
  
Inhibitor
Name:
BDBM50250248
Synonyms:
CHEMBL4078740
Type:
Small organic molecule
Emp. Form.:
C20H23NO4
Mol. Mass.:
341.4009
SMILES:
CCCCc1ccc(OCC(=O)Nc2cccc(c2)C(=O)OC)cc1
Structure:
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