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Name | Substance-P receptor |
---|---|
Species | Meriones unguiculatus (Mongolian jird) |
Gene | TACR1 |
Synonym | NK-1 receptor NK-1R SPR Tachykinin receptor 1 |
Disease | N/A for non-human GPCRs |
Length | 407 |
Amino acid sequence | MDNVLPGDSDLFPNISTNSSESNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVIFVIWVLALLLAFPQGYYSTTETMPGRVVCMIEWPEHPNRTYEKAYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHVFFLLPYINPDLYVKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQGSVYKVSRLETTISTVVGAHEDEAEEGPKATPSSLDLTSNGSSRSNSKTMTESSSFYSNMLA |
UniProt | Q5DUB1 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL1764942 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL3596483 |
---|---|
Molecular formula | C27H25F3N2O |
IUPAC name | 4-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]benzonitrile |
Molecular weight | 450.505 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 5.6 |
Synonyms | BDBM50106356 CKTOCNIMPWRZSV-UHFFFAOYSA-N 3'-(((4-Phenylpiperidin-4-yl)methoxy)methyl)-5'-(trifluoromethyl)biphenyl-4-carbonitrile SCHEMBL3597741 |
Inchi Key | CKTOCNIMPWRZSV-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H25F3N2O/c28-27(29,30)25-15-21(14-23(16-25)22-8-6-20(17-31)7-9-22)18-33-19-26(10-12-32-13-11-26)24-4-2-1-3-5-24/h1-9,14-16,32H,10-13,18-19H2 |
PubChem CID | 24785978 |
ChEMBL | CHEMBL3596483 |
IUPHAR | N/A |
BindingDB | 50106356 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 0.45 nM | PMID26048800 | ChEMBL |
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