Reaction Details Report a problem with these data
Target
Prepronociceptin
Ligand
BDBM464443
Substrate
n/a
Meas. Tech.
Receptor Binding Assay
Ki
3.60±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:
BDBM464443
Synonyms:
US10793528, Example SC_5013
Type:
Small organic molecule
Emp. Form.:
C28H39N5O3
Mol. Mass.:
493.641
SMILES:
CN(C)[C@]1(CC[C@]2(CN(CCC(=O)NCc3ncco3)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.23,3.2,(4.23,5.16,;5.32,4.07,;6.81,4.47,;4.93,2.58,;4.93,1.04,;3.59,.27,;2.26,1.04,;.85,1.67,;-.18,.52,;-1.71,.68,;-2.62,-.56,;-4.15,-.4,;-4.77,1.01,;-5.05,-1.65,;-6.58,-1.49,;-7.49,-2.73,;-9.03,-2.73,;-9.51,-4.2,;-8.26,-5.1,;-7.01,-4.2,;.59,-.81,;-.04,-2.22,;2.1,-.49,;3.24,-1.52,;2.92,-3.03,;1.63,-3.87,;2.47,-5.16,;3.76,-4.32,;2.26,2.58,;3.59,3.35,;6.45,2.38,;7.04,.96,;8.57,.76,;9.51,1.98,;8.92,3.4,;7.39,3.6,)|
Structure:
Search PDB for entries with ligand similarity: