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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	CHEMBL387699
Molecular formula	C38H44N6O4
IUPAC name	(2S,5S,8R,12R)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-12-piperidin-1-yl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone
Molecular weight	648.808
Hydrogen bond acceptor	5
Hydrogen bond donor	5
XlogP	4.3
Synonyms	N/A
Inchi Key	ASEHDKSOPQBKAO-ODRDEDCPSA-N
Inchi ID	InChI=1S/C38H44N6O4/c45-35-23-34(44-18-10-3-11-19-44)38(48)40-25-29(20-26-12-4-1-5-13-26)41-36(46)32(21-27-14-6-2-7-15-27)43-37(47)33(42-35)22-28-24-39-31-17-9-8-16-30(28)31/h1-2,4-9,12-17,24,29,32-34,39H,3,10-11,18-23,25H2,(H,40,48)(H,41,46)(H,42,45)(H,43,47)/t29-,32+,33+,34-/m1/s1
PubChem CID	11479743
ChEMBL	CHEMBL387699
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1.585 nM	PMID15615542	ChEMBL

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