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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	CHEMBL327531
Molecular formula	C16H17ClN6O
IUPAC name	N-(4-chlorophenyl)-8-methyl-2-morpholin-4-yl-7H-purin-6-amine
Molecular weight	344.803
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	3.1
Synonyms	BDBM50285954 (4-Chloro-phenyl)-(8-methyl-2-morpholin-4-yl-9H-purin-6-yl)-amine
Inchi Key	AXPOPRDPHLQAKM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H17ClN6O/c1-10-18-13-14(19-10)21-16(23-6-8-24-9-7-23)22-15(13)20-12-4-2-11(17)3-5-12/h2-5H,6-9H2,1H3,(H2,18,19,20,21,22)
PubChem CID	44329163
ChEMBL	CHEMBL327531
IUPHAR	N/A
BindingDB	50285954
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	17500.0 nM	, Bioorg. Med. Chem. Lett., (1995) 5:23:2879	BindingDB,ChEMBL

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