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Target
Pyridoxal kinase
Ligand
BDBM207992
Substrate
n/a
Meas. Tech.
ChEMBL_1636780 (CHEMBL3879678)
IC50
>10000±n/a nM
Citation
 Won, SJ; Eschweiler, JD; Majmudar, JD; Chong, FS; Hwang, SY; Ruotolo, BT; Martin, BR Affinity-Based Selectivity Profiling of an In-Class Selective Competitive Inhibitor of Acyl Protein Thioesterase 2. ACS Med Chem Lett 8:215-220 (2017) [PubMed]  Article 
Target
Name:
Pyridoxal kinase
Synonyms:
C21orf124 | C21orf97 | PDXK | PDXK_HUMAN | PKH | PNK | Pyridoxine kinase
Type:
PROTEIN
Mol. Mass.:
35099.40
Organism:
Homo sapiens (Human)
Description:
ChEMBL_103125
Residue:
312
Sequence:
MEEECRVLSIQSHVIRGYVGNRAATFPLQVLGFEIDAVNSVQFSNHTGYAHWKGQVLNSDELQELYEGLRLNNMNKYDYVLTGYTRDKSFLAMVVDIVQELKQQNPRLVYVCDPVLGDKWDGEGSMYVPEDLLPVYKEKVVPLADIITPNQFEAELLSGRKIHSQEEALRVMDMLHSMGPDTVVITSSDLPSPQGSNYLIVLGSQRRRNPAGSVVMERIRMDIRKVDAVFVGTGDLFAAMLLAWTHKHPNNLKVACEKTVSTLHHVLQRTIQCAKAQAGEGVRPSPMQLELRMVQSKRDIEDPEIVVQATVL
  
Inhibitor
Name:
BDBM207992
Synonyms:
ML349
Type:
Small organic molecule
Emp. Form.:
C23H22N2O4S2
Mol. Mass.:
454.562
SMILES:
COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2CS(=O)(=O)c3ccccc3-c2s1
Structure:
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