Reaction Details Report a problem with these data
Target
NAD kinase
Ligand
BDBM50295362
Substrate
n/a
Meas. Tech.
ChEMBL_2207955 (CHEMBL5120663)
Ki
45000±n/a nM
Citation
 Liu, T; Shi, W; Ding, Y; Wu, Q; Zhang, B; Zhang, N; Wang, M; Du, D; Zhang, H; Han, B; Guo, D; Zheng, J; Li, Q; Luo, C (-)-Epigallocatechin Gallate is a Noncompetitive Inhibitor of NAD Kinase. ACS Med Chem Lett 13:1699-1706 (2022) [PubMed] 
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:
BDBM50295362
Synonyms:
(2S,3S,4R,5R,2'S,3'S,4'R,5'R)-2,2'-[DITHIOBIS(METHYLENE)]BIS[5-(6-AMINO-9H-PURIN-9-YL)TETRAHYDROFURAN-3,4-DIOL] | CHEMBL561654 | di(adenosin-5'-yl)disulfide
Type:
Small organic molecule
Emp. Form.:
C20H24N10O6S2
Mol. Mass.:
564.598
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: