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Target
Malate dehydrogenase, mitochondrial
Ligand
BDBM50250245
Substrate
n/a
Meas. Tech.
ChEMBL_1681383 (CHEMBL4031660)
IC50
5400±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:
BDBM50250245
Synonyms:
CHEMBL4086789
Type:
Small organic molecule
Emp. Form.:
C28H37F3N2O2
Mol. Mass.:
490.6008
SMILES:
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cc1
Structure:
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