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Target
Substance-P receptor
Ligand
BDBM50280464
Substrate
n/a
Meas. Tech.
ChEBML_205417
IC50
33±n/a nM
Citation
 Howson, W; Hodgson, J; Richardson, R; Walton, L; Guard, S; Watling, K An SAR study for the non-peptide substance P receptor (NK1) antagonist, CP-96,345. Bioorg Med Chem Lett 2:559-564 (1992)    Article 
Target
Name:
Substance-P receptor
Synonyms:
NK1R_CAVPO | Neurokinin 1 receptor | Neurokinin NK1 | TAC1R | TACR1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
46261.42
Organism:
GUINEA PIG
Description:
Neurokinin NK1 TACR1 GUINEA PIG::P30547
Residue:
407
Sequence:
MDNVLPVDSDLFPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPGRVVCMIEWPSHPDKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAADYEGLEMKSTRYFQTQGSVYKVSRLETTISTVVGAHEEDPEEGPKATPSSLDLTSNGSSRSNSKTVTESSSFYSNMLS
  
Inhibitor
Name:
BDBM50280464
Synonyms:
CHEMBL345711 | [(2R,3R)-2-(2,2-Diphenyl-ethyl)-1-aza-bicyclo[2.2.2]oct-3-yl]-(2-trifluoromethyl-benzyl)-amine
Type:
Small organic molecule
Emp. Form.:
C28H29F3N2
Mol. Mass.:
450.5385
SMILES:
FC(F)(F)c1ccccc1CN[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 |wU:12.12,19.22,(-4.15,4.82,;-2.93,4.12,;-3.2,5.71,;-4.43,3.54,;-1.59,3.35,;-.27,4.12,;1.08,3.35,;1.08,1.81,;-.25,1.04,;-1.58,1.81,;-2.91,1.04,;-2.89,-.5,;-4.22,-1.27,;-5.57,-.5,;-6.9,-1.29,;-6.9,-2.83,;-5.64,-3.55,;-4.85,-2.22,;-6.34,-1.83,;-4.22,-2.83,;-2.91,-3.62,;-1.42,-3.22,;-1.04,-1.73,;.44,-1.31,;1.54,-2.41,;1.15,-3.9,;-.34,-4.3,;-2.93,-5.16,;-4.29,-5.9,;-4.31,-7.44,;-2.99,-8.24,;-1.63,-7.47,;-1.63,-5.93,)|
Structure:
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