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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	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	SCHEMBL5446697
Molecular formula	C22H27N5O2
IUPAC name	4-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methoxymethyl]-4-phenylpiperidine
Molecular weight	393.491
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.1
Synonyms	4-((2-Methoxy-5-(5-methyl-1H-tetrazol-1-yl)benzyloxy)methyl)-4-phenylpiperidine CHEMBL3596449 CTRCKPCRPOVKKX-UHFFFAOYSA-N
Inchi Key	CTRCKPCRPOVKKX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H27N5O2/c1-17-24-25-26-27(17)20-8-9-21(28-2)18(14-20)15-29-16-22(10-12-23-13-11-22)19-6-4-3-5-7-19/h3-9,14,23H,10-13,15-16H2,1-2H3
PubChem CID	58993640
ChEMBL	CHEMBL3596449
IUPHAR	N/A
BindingDB	50108640
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	87.0 nM	PMID26048800	ChEMBL

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