Reaction Details Report a problem with these data
Target
Prepronociceptin
Ligand
BDBM464437
Substrate
n/a
Meas. Tech.
Receptor Binding Assay
Ki
2.10±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:
BDBM464437
Synonyms:
US10793528, Example SC_5007
Type:
Small organic molecule
Emp. Form.:
C30H41N5O4S
Mol. Mass.:
567.743
SMILES:
CN(C)[C@]1(CC[C@]2(CN(CCC(=O)Nc3ccc(cn3)S(C)(=O)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.27,3.2,(7.68,2.1,;7.88,.58,;9.3,-.01,;6.66,-.36,;5.89,-1.69,;4.35,-1.69,;3.58,-.36,;2.67,.89,;1.21,.41,;-.04,1.31,;-1.44,.69,;-2.69,1.59,;-2.53,3.13,;-4.1,.97,;-5.34,1.87,;-6.75,1.25,;-7.99,2.15,;-7.83,3.68,;-6.43,4.31,;-5.18,3.4,;-9.08,4.59,;-9.98,3.34,;-10.33,5.49,;-8.17,5.83,;1.21,-1.13,;-.04,-2.04,;2.67,-1.61,;3.15,-3.07,;2.12,-4.22,;.58,-4.3,;.66,-5.83,;2.2,-5.75,;4.35,.97,;5.89,.97,;7.75,-1.45,;7.35,-2.94,;8.44,-4.03,;9.93,-3.63,;10.33,-2.14,;9.24,-1.05,)|
Structure:
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