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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	CHEMBL179891
Molecular formula	C29H41N3O4
IUPAC name	2-methyl-N-[(2S)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]-2-(4-propan-2-ylphenoxy)propanamide
Molecular weight	495.664
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.3
Synonyms	BDBM50159896 2-(4-Isopropyl-phenoxy)-2-methyl-N-[(S)-1-(3-morpholin-4-yl-propylcarbamoyl)-2-phenyl-ethyl]-propionamide
Inchi Key	AVIXBFZEMMRRMZ-SANMLTNESA-N
Inchi ID	InChI=1S/C29H41N3O4/c1-22(2)24-11-13-25(14-12-24)36-29(3,4)28(34)31-26(21-23-9-6-5-7-10-23)27(33)30-15-8-16-32-17-19-35-20-18-32/h5-7,9-14,22,26H,8,15-21H2,1-4H3,(H,30,33)(H,31,34)/t26-/m0/s1
PubChem CID	44391043
ChEMBL	CHEMBL179891
IUPHAR	N/A
BindingDB	50159896
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	<1000.0 nM	PMID15664817	BindingDB,ChEMBL

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