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Target
Pyridoxal kinase
Ligand
BDBM50212216
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:
BDBM50212216
Synonyms:
CHEMBL3944678
Type:
Small organic molecule
Emp. Form.:
C43H54N8O9S3
Mol. Mass.:
923.132
SMILES:
[H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCn3cc(COc4ccc(cc4)N4CCN(CC4)C(=O)c4cc5CS(=O)(=O)c6ccccc6-c5s4)nn3)[C@@]1([H])NC(=O)N2 |r|
Structure:
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