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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	CHEMBL441115
Molecular formula	C32H40N4O4
IUPAC name	(2S)-N-(3-morpholin-4-ylpropyl)-3-phenyl-2-[[4-(4-propan-2-ylphenoxy)phenyl]carbamoylamino]propanamide
Molecular weight	544.696
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	4.9
Synonyms	BDBM50159873 (S)-2-{3-[4-(4-Isopropyl-phenoxy)-phenyl]-ureido}-N-(3-morpholin-4-yl-propyl)-3-phenyl-propionamide
Inchi Key	AKCNXMUAPPMEEU-PMERELPUSA-N
Inchi ID	InChI=1S/C32H40N4O4/c1-24(2)26-9-13-28(14-10-26)40-29-15-11-27(12-16-29)34-32(38)35-30(23-25-7-4-3-5-8-25)31(37)33-17-6-18-36-19-21-39-22-20-36/h3-5,7-16,24,30H,6,17-23H2,1-2H3,(H,33,37)(H2,34,35,38)/t30-/m0/s1
PubChem CID	44390553
ChEMBL	CHEMBL441115
IUPHAR	N/A
BindingDB	50159873
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	63.0 nM	PMID15664817	BindingDB,ChEMBL

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