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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	CHEMBL180238
Molecular formula	C30H36N4O4
IUPAC name	(2R)-2-[[methyl-(4-phenoxyphenyl)carbamoyl]amino]-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide
Molecular weight	516.642
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.0
Synonyms	(R)-2-[3-Methyl-3-(4-phenoxy-phenyl)-ureido]-N-(3-morpholin-4-yl-propyl)-3-phenyl-propionamide BDBM50159870
Inchi Key	ANXVEUKNBZKYSA-MUUNZHRXSA-N
Inchi ID	InChI=1S/C30H36N4O4/c1-33(25-13-15-27(16-14-25)38-26-11-6-3-7-12-26)30(36)32-28(23-24-9-4-2-5-10-24)29(35)31-17-8-18-34-19-21-37-22-20-34/h2-7,9-16,28H,8,17-23H2,1H3,(H,31,35)(H,32,36)/t28-/m1/s1
PubChem CID	44390600
ChEMBL	CHEMBL180238
IUPHAR	N/A
BindingDB	50159870
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<3000.0 nM	PMID15664817	BindingDB,ChEMBL

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