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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

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

Ligand

Name	CHEMBL3596452
Molecular formula	C21H22F3N5O
IUPAC name	4-phenyl-4-[[3-(2H-tetrazol-5-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]piperidine
Molecular weight	417.436
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	3.5
Synonyms	UZKYNGFCRNTQPY-UHFFFAOYSA-N BDBM50108633 SCHEMBL3594895 4-((3-(1H-Tetrazol-5-yl)-5-(trifluoromethyl)benzyloxy)methyl)-4-phenylpiperidine
Inchi Key	UZKYNGFCRNTQPY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H22F3N5O/c22-21(23,24)18-11-15(10-16(12-18)19-26-28-29-27-19)13-30-14-20(6-8-25-9-7-20)17-4-2-1-3-5-17/h1-5,10-12,25H,6-9,13-14H2,(H,26,27,28,29)
PubChem CID	58993596
ChEMBL	CHEMBL3596452
IUPHAR	N/A
BindingDB	50108633
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	200.0 nM	PMID26048800	ChEMBL

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