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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	CHEMBL66106
Molecular formula	C30H36Cl4N4O3
IUPAC name	3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]pentyl]-N-methylbenzamide
Molecular weight	642.443
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	6.7
Synonyms	BDBM50110663 L019916 3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-[(Z)-methoxyimino]-5-(2-oxo-[1,4'']bipiperidinyl-1''-yl)-pentyl]-N-methyl-benzamide SCHEMBL16353912
Inchi Key	CXFWIZDXIZCABO-AWQADKOQSA-N
Inchi ID	InChI=1S/C30H36Cl4N4O3/c1-36(30(40)21-15-22(31)18-23(32)16-21)19-28(35-41-2)25(20-6-7-26(33)27(34)17-20)10-14-37-12-8-24(9-13-37)38-11-4-3-5-29(38)39/h6-7,15-18,24-25H,3-5,8-14,19H2,1-2H3/b35-28+
PubChem CID	9939307
ChEMBL	CHEMBL66106
IUPHAR	N/A
BindingDB	50110663
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1.6 nM	PMID11859013	BindingDB,ChEMBL

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