Reaction Details Report a problem with these data
Target
Malate dehydrogenase, cytoplasmic
Ligand
BDBM1944
Substrate
n/a
Meas. Tech.
ChEMBL_104019 (CHEMBL709628)
IC50
85000±n/a nM
Citation
 Seidler, J; McGovern, SL; Doman, TN; Shoichet, BK Identification and prediction of promiscuous aggregating inhibitors among known drugs. J Med Chem 46:4477-86 (2003) [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:
BDBM1944
Synonyms:
BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | Delavirdine | N-[2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl}carbonyl)-1H-indol-5-yl]methanesulfonamide | Rescriptor | U-90152S
Type:
Small organic molecule
Emp. Form.:
C22H28N6O3S
Mol. Mass.:
456.561
SMILES:
CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Structure:
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