Reaction Details Report a problem with these data
Target
NAD kinase 1
Ligand
BDBM50514423
Substrate
n/a
Meas. Tech.
ChEMBL_1856573 (CHEMBL4357302)
Ki
25000±n/a nM
Citation
 Bosc, D; Camberlein, V; Gealageas, R; Castillo-Aguilera, O; Deprez, B; Deprez-Poulain, R Kinetic Target-Guided Synthesis: Reaching the Age of Maturity. J Med Chem 63:3817-3833 (2020) [PubMed]  Article 
Target
Name:
NAD kinase 1
Synonyms:
2.7.1.23 | ATP-dependent NAD kinase | NAD kinase 1 | NADK1_LISMO | nadK1
Type:
PROTEIN
Mol. Mass.:
29932.26
Organism:
Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e)
Description:
ChEMBL_119161
Residue:
264
Sequence:
MKYMITSKGDEKSDLLRLNMIAGFGEYDMEYDDVEPEIVISIGGDGTFLSAFHQYEERLDEIAFIGIHTGHLGFYADWRPAEADKLVKLLAKGEYQKVSYPLLKTTVKYGIGKKEATYLALNESTVKSSGGPFVVDVVINDIHFERFRGDGLCMSTPSGTTAYNKSLGGALMHPSIEAMQLTEMASINNRVYRTIGSPLVFPKHHVVSLQPVNDKDFQISVDHLSILHRDVQEIRYEVSAKKIHFARFRSFPFWRRVHDSFIED
  
Inhibitor
Name:
BDBM50514423
Synonyms:
CHEMBL4552749
Type:
Small organic molecule
Emp. Form.:
C22H26N14O7S
Mol. Mass.:
630.596
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNC(=O)CSc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: