Reaction Details Report a problem with these data
Target
Prepronociceptin
Ligand
BDBM464455
Substrate
n/a
Meas. Tech.
Receptor Binding Assay
Ki
22.5±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:
BDBM464455
Synonyms:
US10793528, Example SC_5025
Type:
Small organic molecule
Emp. Form.:
C29H40N6O4
Mol. Mass.:
536.6657
SMILES:
COc1ccnc(NC(=O)CCN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3(O)CCC3)C2=O)n1 |r,wU:14.30,17.20,(-5.73,6.15,;-7.14,5.52,;-7.3,3.99,;-8.71,3.37,;-8.87,1.83,;-7.62,.93,;-6.21,1.56,;-4.97,.65,;-3.56,1.28,;-3.4,2.81,;-2.32,.37,;-.91,1,;.34,.09,;1.8,.57,;2.71,-.68,;3.48,-2.01,;5.02,-2.01,;5.79,-.68,;5.02,.66,;3.48,.66,;6.56,.66,;8.1,.66,;5.79,1.99,;6.56,-2.01,;5.79,-3.34,;6.56,-4.68,;8.1,-4.68,;8.87,-3.34,;8.1,-2.01,;1.8,-1.92,;2.28,-3.39,;1.25,-4.53,;2.7,-5.05,;-.29,-4.61,;-.21,-6.15,;1.33,-6.07,;.34,-1.45,;-.91,-2.35,;-6.05,3.09,)|
Structure:
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