Reaction Details Report a problem with these data
Target
Prepronociceptin
Ligand
BDBM464463
Substrate
n/a
Meas. Tech.
Receptor Binding Assay
Ki
48.5±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:
BDBM464463
Synonyms:
US10793528, Example SC_5033
Type:
Small organic molecule
Emp. Form.:
C26H36N6O3
Mol. Mass.:
480.6024
SMILES:
COCCN1C(=O)N(CCC(=O)Nc2cncnc2)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:20.21,23.28,(.3,-5.16,;1.33,-4.01,;.85,-2.55,;1.88,-1.4,;1.41,.06,;-.06,.54,;-1.3,-.37,;-.06,2.08,;-1.39,2.85,;-2.72,2.08,;-4.06,2.85,;-4.06,4.39,;-5.39,2.08,;-6.73,2.85,;-6.73,4.39,;-8.06,5.16,;-9.39,4.39,;-9.39,2.85,;-8.06,2.08,;1.41,2.55,;2.31,1.31,;3.08,-.03,;4.62,-.03,;5.39,1.31,;4.62,2.64,;3.08,2.64,;6.48,2.4,;7.97,2,;6.08,3.88,;6.73,.54,;6.73,-1,;8.06,-1.77,;9.39,-1,;9.39,.54,;8.06,1.31,)|
Structure:
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