Reaction Details Report a problem with these data
Target
Malate dehydrogenase, mitochondrial
Ligand
BDBM50400094
Substrate
n/a
Meas. Tech.
ChEBML_1681405
IC50
6300±n/a nM
Citation
 Naik, R; Ban, HS; Jang, K; Kim, I; Xu, X; Harmalkar, D; Shin, SA; Kim, M; Kim, BK; Park, J; Ku, B; Oh, S; Won, M; Lee, 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, mitochondrial
Synonyms:
MDH2 | MDHM_HUMAN
Type:
PROTEIN
Mol. Mass.:
35512.45
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1456625
Residue:
338
Sequence:
MLSALARPASAALRRSFSTSAQNNAKVAVLGASGGIGQPLSLLLKNSPLVSRLTLYDIAHTPGVAADLSHIETKAAVKGYLGPEQLPDCLKGCDVVVIPAGVPRKPGMTRDDLFNTNATIVATLTAACAQHCPEAMICVIANPVNSTIPITAEVFKKHGVYNPNKIFGVTTLDIVRANTFVAELKGLDPARVNVPVIGGHAGKTIIPLISQCTPKVDFPQDQLTALTGRIQEAGTEVVKAKAGAGSATLSMAYAGARFVFSLVDAMNGKEGVVECSFVKSQETECTYFSTPLLLGKKGIEKNLGIGKVSSFEEKMISDAIPELKASIKKGEDFVKTLK
  
Inhibitor
Name:
BDBM50400094
Synonyms:
CHEMBL427092
Type:
Small organic molecule
Emp. Form.:
C26H29NO5
Mol. Mass.:
435.5122
SMILES:
COC(=O)c1ccc(O)c(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:18:21:24.23.28:26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|
Structure:
Search PDB for entries with ligand similarity: