Reaction Details Report a problem with these data
Target
Prepronociceptin
Ligand
BDBM464441
Substrate
n/a
Meas. Tech.
Receptor Binding Assay
Ki
2.60±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:
BDBM464441
Synonyms:
US10793528, Example SC_5011
Type:
Small organic molecule
Emp. Form.:
C30H41N5O3
Mol. Mass.:
519.6782
SMILES:
COc1ccnc(NC(=O)CCN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)c1 |r,wU:14.30,17.20,(-10.72,2.36,;-9.38,1.59,;-8.05,2.36,;-8.05,3.9,;-6.71,4.67,;-5.38,3.9,;-5.38,2.36,;-4.05,1.59,;-2.71,2.36,;-2.71,3.9,;-1.38,1.59,;-.05,2.36,;1.29,1.59,;2.69,2.22,;3.72,1.08,;4.63,-.17,;6.16,-.01,;6.79,1.4,;5.88,2.64,;4.35,2.48,;7.88,2.49,;9.36,2.09,;7.48,3.97,;8.06,.52,;7.94,-1.01,;9.21,-1.88,;10.6,-1.22,;10.72,.32,;9.45,1.19,;2.95,-.26,;3.58,-1.67,;2.68,-2.91,;1.15,-3.15,;1.4,-4.67,;2.92,-4.43,;1.45,.06,;.3,-.97,;-6.71,1.59,)|
Structure:
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