Reaction Details Report a problem with these data
Target
NAD kinase
Ligand
BDBM50070942
Substrate
n/a
Meas. Tech.
ChEMBL_2207962 (CHEMBL5120670)
Ki
3280±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:
BDBM50070942
Synonyms:
(-)-Epigallocatechin gallate | (-)-Epigallocatechin-3-o-gallate | (-)-epigallocatechin 3-gallate | (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate | CHEMBL297453 | EGCG | Epigallocatechin 3-gallate | Epigallocatechin monogallate, B | cid_65064
Type:
Small organic molecule
Emp. Form.:
C22H18O11
Mol. Mass.:
458.3717
SMILES:
Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Structure:
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