Reaction Details Report a problem with these data
Target
Prepronociceptin
Ligand
BDBM464469
Substrate
n/a
Meas. Tech.
Receptor Binding Assay
Ki
130±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:
BDBM464469
Synonyms:
US10793528, Example SC_5039
Type:
Small organic molecule
Emp. Form.:
C26H42N4O5S
Mol. Mass.:
522.7
SMILES:
COCCCN1C(=O)N(CCC(=O)NCCS(C)(=O)=O)C[C@]11CC[C@@](CC1)(N(C)C)c1ccccc1 |r,wU:24.28,21.21,(1.29,-5.53,;1.29,-3.99,;2.38,-2.9,;1.98,-1.41,;3.01,-.26,;2.53,1.2,;1.07,1.68,;-.18,.77,;1.07,3.22,;-.26,3.99,;-1.6,3.22,;-2.93,3.99,;-2.93,5.53,;-4.26,3.22,;-5.6,3.99,;-6.93,3.22,;-8.27,3.99,;-9.6,3.22,;-7.18,5.07,;-9.35,5.07,;2.53,3.69,;3.44,2.45,;4.21,1.11,;5.75,1.11,;6.52,2.45,;5.75,3.78,;4.21,3.78,;7.29,3.78,;8.83,3.78,;6.52,5.11,;7.29,1.11,;6.52,-.22,;7.29,-1.56,;8.83,-1.56,;9.6,-.22,;8.83,1.11,)|
Structure:
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