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Target
Malate dehydrogenase, cytoplasmic
Ligand
BDBM50250222
Substrate
n/a
Meas. Tech.
ChEBML_1681382
IC50
25960±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:
BDBM50250222
Synonyms:
CHEMBL4069043
Type:
Small organic molecule
Emp. Form.:
C26H39NO3
Mol. Mass.:
413.5928
SMILES:
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NC23CC4CC(CC(O)(C4)C2)C3)cc1 |TLB:27:17:25:22.21.20,16:17:25:22.21.20,THB:22:23:18:27.21.20,22:21:18:25.23.26,27:21:25:17.18.26,24:23:18:27.21.20|
Structure:
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