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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-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	CHEMBL138458
Molecular formula	C23H29NO2
IUPAC name	3-methoxy-1'-(3-phenylpropyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]
Molecular weight	351.49
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.3
Synonyms	1'-(3-Phenylpropyl)-3-methoxy-3,4-dihydrospiro[1H-2-benzopyran-1,4'-piperidine] BDBM50108654 1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4''-(hexahydropyridine)]-1-yl]-3-phenylpropane
Inchi Key	IJKYJDDNDXAREJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H29NO2/c1-25-22-18-20-11-5-6-12-21(20)23(26-22)13-16-24(17-14-23)15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12,22H,7,10,13-18H2,1H3
PubChem CID	10915140
ChEMBL	CHEMBL138458
IUPHAR	N/A
BindingDB	50108654
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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