Reaction Details Report a problem with these data
Target
NAD kinase
Ligand
BDBM50208781
Substrate
n/a
Meas. Tech.
ChEMBL_1633189 (CHEMBL3875981)
Ki
230000±n/a nM
Citation
 Paoletti, J; Assairi, L; Gelin, M; Huteau, V; Nahori, MA; Dussurget, O; Labesse, G; Pochet, S 8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode. Eur J Med Chem 124:1041-1056 (2016) [PubMed]  Article 
Target
Name:
NAD kinase
Synonyms:
NADK | NADK_HUMAN
Type:
PROTEIN
Mol. Mass.:
49227.18
Organism:
Homo sapiens (Human)
Description:
ChEMBL_578494
Residue:
446
Sequence:
MEMEQEKMTMNKELSPDAAAYCCSACHGDETWSYNHPIRGRAKSRSLSASPALGSTKEFRRTRSLHGPCPVTTFGPKACVLQNPQTIMHIQDPASQRLTWNKSPKSVLVIKKMRDASLLQPFKELCTHLMEENMIVYVEKKVLEDPAIASDESFGAVKKKFCTFREDYDDISNQIDFIICLGGDGTLLYASSLFQGSVPPVMAFHLGSLGFLTPFSFENFQSQVTQVIEGNAAVVLRSRLKVRVVKELRGKKTAVHNGLGENGSQAAGLDMDVGKQAMQYQVLNEVVIDRGPSSYLSNVDVYLDGHLITTVQGDGVIVSTPTGSTAYAAAAGASMIHPNVPAIMITPICPHSLSFRPIVVPAGVELKIMLSPEARNTAWVSFDGRKRQEIRHGDSISITTSCYPLPSICVRDPVSDWFESLAQCLHWNVRKKQAHFEEEEEEEEEG
  
Inhibitor
Name:
BDBM50208781
Synonyms:
CHEMBL3883763
Type:
Small organic molecule
Emp. Form.:
C21H22F3N9O4S
Mol. Mass.:
553.517
SMILES:
Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(SCC(=O)NCCc3ccc(cc3)C(F)(F)F)nc12 |r|
Structure:
Search PDB for entries with ligand similarity: