Reaction Details Report a problem with these data
Target
Prepronociceptin
Ligand
BDBM464438
Substrate
n/a
Meas. Tech.
Receptor Binding Assay
Ki
1.000±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:
BDBM464438
Synonyms:
US10793528, Example SC_5008
Type:
Small organic molecule
Emp. Form.:
C30H41N5O3
Mol. Mass.:
519.6782
SMILES:
COc1ccc(NC(=O)CCN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)nc1 |r,wU:16.19,13.29,(-10.66,.4,;-10.03,-1,;-8.5,-1.16,;-7.87,-2.57,;-6.34,-2.73,;-5.43,-1.49,;-3.9,-1.65,;-3,-.4,;-3.62,1.01,;-1.47,-.56,;-.56,.68,;.97,.52,;2,1.67,;3.41,1.04,;4.74,.27,;6.08,1.04,;6.08,2.58,;4.74,3.35,;3.41,2.58,;6.47,4.07,;7.96,4.47,;5.38,5.16,;7.6,2.38,;8.19,.96,;9.72,.76,;10.66,1.98,;10.07,3.4,;8.54,3.6,;3.25,-.49,;4.39,-1.52,;4.07,-3.03,;2.78,-3.87,;3.62,-5.16,;4.91,-4.32,;1.74,-.81,;1.11,-2.22,;-6.06,-.08,;-7.59,.08,)|
Structure:
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