Reaction Details Report a problem with these data
Target
Prepronociceptin
Ligand
BDBM464504
Substrate
n/a
Meas. Tech.
Receptor Binding Assay
Ki
12.0±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:
BDBM464504
Synonyms:
US10793528, Example SC_5079
Type:
Small organic molecule
Emp. Form.:
C30H46N4O5S
Mol. Mass.:
574.775
SMILES:
CN(C)[C@]1(CC[C@]2(CN(CC(C)(C)C(=O)N3CCS(=O)(=O)CC3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.26,3.2,(5.96,3.82,;6.73,2.49,;8.27,2.49,;5.96,1.16,;5.19,-.18,;3.65,-.18,;2.88,1.16,;1.97,2.4,;.51,1.93,;-.83,2.7,;-2.16,1.93,;-2.93,.59,;-1.39,.59,;-3.49,2.7,;-3.49,4.24,;-4.83,1.93,;-6.16,2.7,;-7.5,1.93,;-7.5,.39,;-9.04,.39,;-8.27,-.95,;-6.16,-.38,;-4.83,.39,;.51,.39,;-.74,-.52,;1.97,-.09,;2.45,-1.55,;1.42,-2.7,;2.85,-3.25,;-.12,-2.7,;-.12,-4.24,;1.42,-4.24,;3.65,2.49,;5.19,2.49,;6.73,-.18,;5.96,-1.51,;6.73,-2.84,;8.27,-2.84,;9.04,-1.51,;8.27,-.18,)|
Structure:
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