Reaction Details Report a problem with these data
Target
Prepronociceptin
Ligand
BDBM464440
Substrate
n/a
Meas. Tech.
Receptor Binding Assay
Ki
2.20±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:
BDBM464440
Synonyms:
US10793528, Example SC_5010
Type:
Small organic molecule
Emp. Form.:
C29H40N6O3
Mol. Mass.:
520.6663
SMILES:
COc1cncc(NC(=O)CCN2C[C@]3(CC[C@@](CC3)(N(C)C)c3ccccc3)N(CC3CCC3)C2=O)n1 |r,wU:14.30,17.20,(-6.02,6.15,;-7.43,5.52,;-7.59,3.99,;-9,3.37,;-9.16,1.83,;-7.91,.93,;-6.51,1.56,;-5.26,.65,;-3.85,1.28,;-3.69,2.81,;-2.61,.37,;-1.2,1,;.04,.09,;1.51,.57,;2.41,-.68,;3.18,-2.01,;4.72,-2.01,;5.49,-.68,;4.72,.66,;3.18,.66,;6.72,.26,;6.52,1.79,;8.14,-.33,;6.58,-1.77,;6.18,-3.25,;7.27,-4.34,;8.76,-3.94,;9.16,-2.46,;8.07,-1.37,;1.51,-1.92,;1.99,-3.39,;.95,-4.53,;-.58,-4.61,;-.5,-6.15,;1.04,-6.07,;.04,-1.45,;-1.2,-2.35,;-6.35,3.09,)|
Structure:
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