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Target
Serine/threonine-protein kinase Nek3
Ligand
BDBM50599287
Substrate
n/a
Meas. Tech.
ChEMBL_2229526 (CHEMBL5143039)
IC50
>10000±n/a nM
Citation
 Wu, Y; Qi, Z; Wang, B; Wang, J; Liu, Q; Wang, A; Shi, C; Zhou, B; Liang, Q; Wang, W; Zou, F; Qi, S; Wang, Z; Wang, L; Wang, W; Liu, J; Liu, Q Discovery of IHMT-MST1-58 as a Novel, Potent, and Selective MST1 Inhibitor for the Treatment of Type 1/2 Diabetes. J Med Chem 65:11818-11839 (2022) [PubMed] 
Target
Name:
Serine/threonine-protein kinase Nek3
Synonyms:
NEK3 | NEK3_HUMAN
Type:
PROTEIN
Mol. Mass.:
57709.05
Organism:
Homo sapiens (Human)
Description:
ChEMBL_774350
Residue:
506
Sequence:
MDDYMVLRMIGEGSFGRALLVQHESSNQMFAMKEIRLPKSFSNTQNSRKEAVLLAKMKHPNIVAFKESFEAEGHLYIVMEYCDGGDLMQKIKQQKGKLFPEDMILNWFTQMCLGVNHIHKKRVLHRDIKSKNIFLTQNGKVKLGDFGSARLLSNPMAFACTYVGTPYYVPPEIWENLPYNNKSDIWSLGCILYELCTLKHPFQANSWKNLILKVCQGCISPLPSHYSYELQFLVKQMFKRNPSHRPSATTLLSRGIVARLVQKCLPPEIIMEYGEEVLEEIKNSKHNTPRKKTNPSRIRIALGNEASTVQEEEQDRKGSHTDLESINENLVESALRRVNREEKGNKSVHLRKASSPNLHRRQWEKNVPNTALTALENASILTSSLTAEDDRGGSVIKYSKNTTRKQWLKETPDTLLNILKNADLSLAFQTYTIYRPGSEGFLKGPLSEETEASDSVDGGHDSVILDPERLEPGLDEEDTDFEEEDDNPDWVSELKKRAGWQGLCDR
  
Inhibitor
Name:
BDBM50599287
Synonyms:
CHEMBL5183592
Type:
Small organic molecule
Emp. Form.:
C21H22N6O3S
Mol. Mass.:
438.503
SMILES:
CN1C(C(=O)N(C)c2cnc(Nc3ccc(cc3)S(N)(=O)=O)nc12)c1ccccc1C
Structure:
Search PDB for entries with ligand similarity: