Reaction Details Report a problem with these data
Target
Prepronociceptin
Ligand
BDBM464448
Substrate
n/a
Meas. Tech.
Receptor Binding Assay
Ki
3.20±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:
BDBM464448
Synonyms:
US10793528, Example SC_5018
Type:
Small organic molecule
Emp. Form.:
C29H44N4O3
Mol. Mass.:
496.6847
SMILES:
CN(C)[C@]1(CC[C@]2(CN(CCC(=O)NCC3(O)CCC3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(6.53,4.32,;6.93,2.84,;8.42,2.44,;5.84,1.75,;5.21,.34,;3.68,.18,;2.78,1.43,;1.75,2.57,;.34,1.94,;-1,2.71,;-2.33,1.94,;-3.66,2.71,;-3.66,4.25,;-5,1.94,;-6.33,2.71,;-7.66,1.94,;-6.89,.61,;-8.43,3.28,;-9.77,2.51,;-9,1.17,;.5,.41,;-.64,-.62,;2.01,.09,;2.63,-1.32,;1.73,-2.56,;.21,-2.8,;.45,-4.32,;1.97,-4.08,;3.4,2.83,;4.93,2.99,;7.11,.87,;6.99,-.66,;8.26,-1.53,;9.65,-.87,;9.77,.67,;8.5,1.54,)|
Structure:
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