Reaction Details Report a problem with these data
Target
Prepronociceptin
Ligand
BDBM464454
Substrate
n/a
Meas. Tech.
Receptor Binding Assay
Ki
9.40±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:
BDBM464454
Synonyms:
US10793528, Example SC_5024
Type:
Small organic molecule
Emp. Form.:
C28H38N6O4
Mol. Mass.:
522.6391
SMILES:
CN(C)[C@]1(CC[C@]2(CN(CCC(=O)Nc3nccc(O)n3)C(=O)N2CC2(O)CCC2)CC1)c1ccccc1 |r,wU:6.24,3.2,(8.1,.97,;6.56,.97,;5.79,2.3,;5.79,-.36,;5.02,-1.7,;3.48,-1.7,;2.71,-.36,;1.8,.88,;.34,.41,;-.91,1.31,;-2.32,.68,;-3.56,1.59,;-3.4,3.12,;-4.97,.96,;-6.21,1.87,;-7.62,1.24,;-8.87,2.15,;-8.71,3.68,;-7.3,4.31,;-7.14,5.84,;-6.05,3.4,;.34,-1.13,;-.91,-2.04,;1.8,-1.61,;2.28,-3.07,;1.25,-4.22,;2.7,-4.73,;-.29,-4.3,;-.21,-5.84,;1.33,-5.76,;3.48,.97,;5.02,.97,;6.56,-1.7,;5.79,-3.03,;6.56,-4.36,;8.1,-4.36,;8.87,-3.03,;8.1,-1.7,)|
Structure:
Search PDB for entries with ligand similarity: