Reaction Details Report a problem with these data
Target
Prepronociceptin
Ligand
BDBM464498
Substrate
n/a
Meas. Tech.
Receptor Binding Assay
Ki
23.0±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:
BDBM464498
Synonyms:
US10793528, Example SC_5073
Type:
Small organic molecule
Emp. Form.:
C25H38N4O2
Mol. Mass.:
426.5948
SMILES:
CN(C)[C@]1(CC[C@]2(CN(CC(C)(C)C(N)=O)C(=O)N2CC2CC2)CC1)c1ccccc1 |r,wU:6.18,3.2,(4.48,3.77,;4.48,2.23,;5.97,1.83,;3.39,1.14,;2.62,-.19,;1.08,-.19,;.31,1.14,;-.59,2.39,;-2.06,1.91,;-3.39,2.68,;-4.73,1.91,;-5.5,.58,;-3.96,.58,;-6.06,2.68,;-7.39,1.91,;-6.06,4.22,;-2.06,.37,;-3.3,-.53,;-.59,-.11,;-.12,-1.57,;-1.15,-2.71,;-2.61,-3.19,;-1.47,-4.22,;1.08,2.47,;2.62,2.47,;4.73,.37,;4.73,-1.17,;6.06,-1.94,;7.39,-1.17,;7.39,.37,;6.06,1.14,)|
Structure:
Search PDB for entries with ligand similarity: