Reaction Details Report a problem with these data
Target
Prepronociceptin
Ligand
BDBM464435
Substrate
n/a
Meas. Tech.
Receptor Binding Assay
Ki
1.20±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:
BDBM464435
Synonyms:
US10793528, Example SC_5005
Type:
Small organic molecule
Emp. Form.:
C30H41N5O3
Mol. Mass.:
519.6782
SMILES:
COc1cnccc1NC(=O)CCN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:15.32,18.22,(-5.83,5.18,;-5.69,3.65,;-6.95,2.76,;-8.35,3.41,;-9.61,2.53,;-9.47,1,;-8.08,.35,;-6.82,1.23,;-5.42,.58,;-4.16,1.46,;-4.3,3,;-2.76,.82,;-1.5,1.7,;-.11,1.05,;1.24,1.8,;2.37,.75,;3.46,-.34,;4.94,.06,;5.34,1.55,;4.25,2.63,;2.77,2.24,;6.11,2.88,;5.34,4.21,;7.65,2.88,;6.76,.96,;6.97,-.57,;8.39,-1.16,;9.61,-.22,;9.41,1.3,;7.99,1.89,;1.72,-.65,;2.46,-1.99,;1.67,-3.31,;.18,-3.69,;.55,-5.18,;2.05,-4.81,;.19,-.46,;-.86,-1.59,)|
Structure:
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