Reaction Details Report a problem with these data
Target
Prepronociceptin
Ligand
BDBM464436
Substrate
n/a
Meas. Tech.
Receptor Binding Assay
Ki
1.90±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:
BDBM464436
Synonyms:
US10793528, Example SC_5006
Type:
Small organic molecule
Emp. Form.:
C29H40N6O3
Mol. Mass.:
520.6663
SMILES:
COc1ccc(NC(=O)CCN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)nn1 |r,wU:13.29,16.19,(-9.54,5.98,;-9.7,4.45,;-8.46,3.54,;-7.05,4.17,;-5.8,3.26,;-5.96,1.73,;-4.72,.82,;-3.31,1.45,;-3.15,2.98,;-2.07,.55,;-.66,1.17,;.59,.27,;2.05,.74,;2.96,-.5,;3.73,-1.84,;5.27,-1.84,;6.04,-.5,;5.27,.83,;3.73,.83,;7.26,.43,;7.06,1.96,;8.68,-.16,;7.13,-1.59,;6.73,-3.08,;7.82,-4.17,;9.3,-3.77,;9.7,-2.28,;8.61,-1.19,;2.05,-1.75,;2.53,-3.21,;1.5,-4.36,;-.04,-4.44,;.04,-5.98,;1.58,-5.9,;.59,-1.27,;-.66,-2.18,;-7.37,1.1,;-8.62,2.01,)|
Structure:
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