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Target
Malate dehydrogenase, cytoplasmic
Ligand
BDBM50250220
Substrate
n/a
Meas. Tech.
ChEBML_1681382
IC50
1310±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, 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:
BDBM50250220
Synonyms:
CHEMBL4098767
Type:
Small organic molecule
Emp. Form.:
C28H33NO4
Mol. Mass.:
447.5659
SMILES:
COC(=O)c1cccc(NC(=O)C(C)(C)Oc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:29:24:31:28.27.30,29:28:31:25.24.23,THB:23:24:27:31.22.30,23:22:25.24.29:27|
Structure:
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