Reaction Details Report a problem with these data
Target
Prepronociceptin
Ligand
BDBM464487
Substrate
n/a
Meas. Tech.
Receptor Binding Assay
Ki
75.5±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:
BDBM464487
Synonyms:
US10793528, Example SC_5057
Type:
Small organic molecule
Emp. Form.:
C27H41N5O3
Mol. Mass.:
483.6461
SMILES:
CN[C@]1(CC[C@]2(CN(CC(C)(C)C(=O)NCC(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:2.1,5.21,(5.79,3.66,;6.56,2.33,;5.79,.99,;5.02,-.34,;3.48,-.34,;2.71,.99,;1.8,2.24,;.34,1.76,;-.91,2.67,;-2.32,2.04,;-2.15,3.57,;-2.48,.51,;-3.56,2.95,;-3.4,4.48,;-4.97,2.32,;-6.21,3.23,;-7.62,2.6,;-8.87,3.51,;-7.78,1.07,;.34,.22,;-.91,-.68,;1.8,-.25,;2.28,-1.72,;1.25,-2.86,;-.29,-2.94,;-.21,-4.48,;1.33,-4.4,;3.48,2.33,;5.02,2.33,;6.56,-.34,;5.79,-1.67,;6.56,-3.01,;8.1,-3.01,;8.87,-1.67,;8.1,-.34,)|
Structure:
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