Reaction Details Report a problem with these data
Target
Prepronociceptin
Ligand
BDBM464452
Substrate
n/a
Meas. Tech.
Receptor Binding Assay
Ki
14.5±n/a nM
Citation
 Kuehnert, S; Koenigs, RM; Jakob, F; Kless, A; Wegert, A; Ratcliffe, P; Jostock, R; Koch, T; Linz, K; Schroeder, W 3-((hetero-)aryl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives US Patent  US10793528 Publication Date 10/6/2020 
Target
Name:
Prepronociceptin
Synonyms:
OFQ | PNOC | PNOC_HUMAN
Type:
Protein
Mol. Mass.:
20301.31
Organism:
Human
Description:
Q13519
Residue:
176
Sequence:
MKVLLCDLLLLSLFSSVFSSCQRDCLTCQEKLHPALDSFDLEVCILECEEKVFPSPLWTPCTKVMARSSWQLSPAAPEHVAAALYQPRASEMQHLRRMPRVRSLFQEQEEPEPGMEEAGEMEQKQLQKRFGGFTGARKSARKLANQKRFSEFMRQYLVLSMQSSQRRRTLHQNGNV
  
Inhibitor
Name:
BDBM464452
Synonyms:
US10793528, Example SC_5023
Type:
Small organic molecule
Emp. Form.:
C28H38N6O3
Mol. Mass.:
506.6397
SMILES:
CN(C)[C@]1(CC[C@]2(CN(CCC(=O)Nc3ncccn3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(8.1,1.74,;6.56,1.74,;5.79,3.07,;5.79,.4,;5.02,-.93,;3.48,-.93,;2.71,.4,;1.8,1.65,;.34,1.17,;-.91,2.08,;-2.32,1.45,;-3.56,2.36,;-3.4,3.89,;-4.97,1.73,;-6.21,2.63,;-6.05,4.17,;-7.3,5.07,;-8.71,4.45,;-8.87,2.91,;-7.62,2.01,;.34,-.37,;-.91,-1.27,;1.8,-.84,;2.28,-2.31,;1.25,-3.45,;2.7,-3.97,;-.29,-3.53,;-.21,-5.07,;1.33,-4.99,;3.48,1.74,;5.02,1.74,;6.56,-.93,;5.79,-2.27,;6.56,-3.6,;8.1,-3.6,;8.87,-2.27,;8.1,-.93,)|
Structure:
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