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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Substance-P receptor
Species	Rattus norvegicus (Rat)
Gene	Tacr1
Synonym	TAC1R Substance P receptor SPR NK1R NK1 receptor NK-1R NK-1 receptor neurokinin receptor 1 Tachykinin receptor 1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	407
Amino acid sequence	MDNVLPMDSDLFPNISTNTSESNQFVQPTWQIVLWAAAYTVIVVTSVVGNVVVIWIILAHKRMRTVTNYFLVNLAFAEACMAAFNTVVNFTYAVHNVWYYGLFYCKFHNFFPIAALFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVIFVIWVLALLLAFPQGYYSTTETMPSRVVCMIEWPEHPNRTYEKAYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHVFFLLPYINPDLYLKKFIQQVYLASMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQSSVYKVSRLETTISTVVGAHEEEPEEGPKATPSSLDLTSNGSSRSNSKTMTESSSFYSNMLA
UniProt	P14600
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	CHEMBL4027
IUPHAR	360
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	SCHEMBL3594895 4-((3-(1H-Tetrazol-5-yl)-5-(trifluoromethyl)benzyloxy)methyl)-4-phenylpiperidine UZKYNGFCRNTQPY-UHFFFAOYSA-N BDBM50108633
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	BindingDB

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