Reaction Details Report a problem with these data
Target
Prepronociceptin
Ligand
BDBM464451
Substrate
n/a
Meas. Tech.
Receptor Binding Assay
Ki
3.10±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:
BDBM464451
Synonyms:
US10793528, Example SC_5022
Type:
Small organic molecule
Emp. Form.:
C29H37N7O3
Mol. Mass.:
531.6492
SMILES:
CN(C)[C@]1(CC[C@]2(CN(CCC(=O)Nc3cnc(nc3)C#N)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.25,3.2,(9.26,1.14,;7.72,1.14,;6.95,2.48,;6.95,-.19,;6.18,-1.52,;4.64,-1.52,;3.87,-.19,;2.97,1.06,;1.5,.58,;.26,1.49,;-1.15,.86,;-2.4,1.76,;-2.24,3.3,;-3.8,1.14,;-5.05,2.04,;-4.89,3.57,;-6.13,4.48,;-7.54,3.85,;-7.7,2.32,;-6.46,1.42,;-8.79,4.76,;-10.03,5.66,;1.5,-.96,;.26,-1.87,;2.97,-1.44,;3.44,-2.9,;2.41,-4.05,;3.86,-4.56,;.87,-4.13,;.96,-5.66,;2.49,-5.58,;4.64,1.14,;6.18,1.14,;7.72,-1.52,;6.95,-2.86,;7.72,-4.19,;9.26,-4.19,;10.03,-2.86,;9.26,-1.52,)|
Structure:
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