Reaction Details Report a problem with these data
Target
Malate dehydrogenase, mitochondrial
Ligand
BDBM50031514
Substrate
n/a
Meas. Tech.
ChEMBL_1440890 (CHEMBL3374593)
IC50
7100±n/a nM
Citation
 Naik, R; Won, M; Ban, HS; Bhattarai, D; Xu, X; Eo, Y; Hong, YS; Singh, S; Choi, Y; Ahn, HC; Lee, K Synthesis and structure-activity relationship study of chemical probes as hypoxia induced factor-1a/malate dehydrogenase 2 inhibitors. J Med Chem 57:9522-38 (2014) [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:
BDBM50031514
Synonyms:
CHEMBL3359141
Type:
Small organic molecule
Emp. Form.:
C28H29NO5
Mol. Mass.:
459.5336
SMILES:
Oc1ccc(cc1NC(=O)COc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)C(=O)OCC#C |TLB:15:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
Structure:
Search PDB for entries with ligand similarity: