Reaction Details Report a problem with these data
Target
Prepronociceptin
Ligand
BDBM464450
Substrate
n/a
Meas. Tech.
Receptor Binding Assay
Ki
8.10±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
More Info.:
Target
Name:
Prepronociceptin
Synonyms:
OFQ | PNOC | PNOC_HUMAN
Type:
Protein
Mol. Mass.:
20301.31
Organism:
Human
Description:
Q13519
Residue:
176
Sequence:
MKVLLCDLLLLSLFSSVFSSCQRDCLTCQEKLHPALDSFDLEVCILECEEKVFPSPLWTPCTKVMARSSWQLSPAAPEHVAAALYQPRASEMQHLRRMPRVRSLFQEQEEPEPGMEEAGEMEQKQLQKRFGGFTGARKSARKLANQKRFSEFMRQYLVLSMQSSQRRRTLHQNGNV
Inhibitor
Name:
BDBM464450
Synonyms:
US10793528, Example SC_5020
Type:
Small organic molecule
Emp. Form.:
C29H45N5O3
Mol. Mass.:
511.6993
SMILES:
CN(C)C(=O)CCNC(=O)CCN1C[C@]2(CC[C@@](CC2)(N(C)C)c2ccccc2)N(CC2CCC2)C1=O |r,wU:14.30,17.20,(-10.48,-3.62,;-8.95,-3.78,;-8.32,-5.19,;-8.05,-2.54,;-8.67,-1.13,;-6.51,-2.7,;-5.61,-1.45,;-4.08,-1.61,;-3.17,-.37,;-3.8,1.04,;-1.64,-.53,;-.73,.72,;.8,.56,;1.83,1.7,;3.23,1.07,;4.57,.3,;5.9,1.07,;5.9,2.61,;4.57,3.38,;3.23,2.61,;6.3,4.1,;5.21,5.19,;7.79,4.5,;7.43,2.41,;8.02,.99,;9.54,.79,;10.48,2.01,;9.89,3.43,;8.37,3.63,;3.07,-.46,;4.22,-1.49,;3.9,-2.99,;2.61,-3.83,;3.44,-5.12,;4.74,-4.29,;1.57,-.78,;.94,-2.18,)|