Reaction Details Report a problem with these data
Target
Prepronociceptin
Ligand
BDBM464444
Substrate
n/a
Meas. Tech.
Receptor Binding Assay
Ki
6.60±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:
BDBM464444
Synonyms:
US10793528, Example SC_5014
Type:
Small organic molecule
Emp. Form.:
C29H44N4O4
Mol. Mass.:
512.6841
SMILES:
CN(C)[C@]1(CC[C@]2(CN(CCC(=O)N3CC[C@H](O)[C@@H](O)C3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.24,3.2,18.18,wD:16.16,(3.99,5.27,;5.08,4.18,;6.57,4.58,;4.68,2.69,;4.68,1.15,;3.35,.38,;2.02,1.15,;.61,1.78,;-.42,.64,;-1.95,.8,;-2.86,-.45,;-4.39,-.29,;-5.02,1.12,;-5.3,-1.53,;-4.67,-2.94,;-5.57,-4.19,;-7.11,-4.03,;-8.01,-5.27,;-7.73,-2.62,;-9.26,-2.46,;-6.83,-1.37,;.35,-.7,;-.28,-2.1,;1.85,-.38,;3,-1.41,;2.68,-2.91,;1.39,-3.75,;2.23,-5.04,;3.52,-4.21,;2.02,2.69,;3.35,3.46,;6.21,2.49,;6.8,1.07,;8.33,.87,;9.26,2.09,;8.67,3.51,;7.15,3.72,)|
Structure:
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