Target
Malate dehydrogenase, cytoplasmic
Ligand
BDBM50250244
Substrate
n/a
Meas. Tech.
ChEBML_1681382
IC50
1180±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:
BDBM50250244
Synonyms:
CHEMBL4091027
Type:
Small organic molecule
Emp. Form.:
C26H35NO4
Mol. Mass.:
425.5604
SMILES:
COC(=O)c1cccc(NC(=O)CCCOc2ccc(cc2)C(C)(C)CC(C)(C)C)c1
Structure:
Search PDB for entries with ligand similarity: