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GLASS

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GPCR

Name	Substance-K receptor
Species	Homo sapiens (Human)
Gene	TACR2
Synonym	NK2 receptor Neurokinin A receptor Tachykinin receptor 2 TAC2R Substance K receptor SP-E receptor SKR Neurokinin B receptor NK-2 receptor NKNAR NK-2R [ Show all ]
Disease	Urinary incontinence Pain Unspecified Irritable bowel syndrome with diarrhoea Irritable bowel syndrome Infantile colics; Postoperative ileus Depression; Anxiety Depression; Acute or chronic pain; Anxiety disorders; Urinary incontinence Chronic obstructive pulmonary disease Asthma Anxiety disorder [ Show all ]
Length	398
Amino acid sequence	MGTCDIVTEANISSGPESNTTGITAFSMPSWQLALWATAYLALVLVAVTGNAIVIWIILAHRRMRTVTNYFIVNLALADLCMAAFNAAFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPSTKAVIAGIWLVALALASPQCFYSTVTMDQGATKCVVAWPEDSGGKTLLLYHLVVIALIYFLPLAVMFVAYSVIGLTLWRRAVPGHQAHGANLRHLQAMKKFVKTMVLVVLTFAICWLPYHLYFILGSFQEDIYCHKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTKEDKLELTPTTSLSTRVNRCHTKETLFMAGDTAPSEATSGEAGRPQDGSGLWFGYGLLAPTKTHVEI
UniProt	P21452
Protein Data Bank	N/A
GPCR-HGmod model	P21452
3D structure model	This predicted structure model is from GPCR-EXP P21452.
BioLiP	N/A
Therapeutic Target Database	T52790
ChEMBL	CHEMBL2327
IUPHAR	361
DrugBank	BE0002222

Ligand

Name	CHEMBL138809
Molecular formula	C20H23NO2
IUPAC name	1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,4'-piperidine]
Molecular weight	309.409
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.0
Synonyms	1''-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4''-piperidine] 1'-benzyl-3-methoxy-3h-spiro[[2]benzofuran-1,4'-piperidine] BDBM50108659 1''-benzyl-3-methoxy-3H-spiro[isobenzofuran-1,4''-piperidine] 1'-Benzyl-3-methoxyspiro[isobenzofuran-1(3H),4'-piperidine] 1''-benzyl-3-methoxyspiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)] [ Show all ]
Inchi Key	RZZAEVQHACUOGI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H23NO2/c1-22-19-17-9-5-6-10-18(17)20(23-19)11-13-21(14-12-20)15-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3
PubChem CID	10357986
ChEMBL	CHEMBL138809
IUPHAR	N/A
BindingDB	50108659
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	<10000.0 nM	PMID11784148	BindingDB,ChEMBL

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