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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Substance-K receptor
Species	Cavia porcellus (Guinea pig)
Gene	TACR2
Synonym	Neurokinin A receptor NK-2 receptor NK-2R SKR Tachykinin receptor 2
Disease	N/A for non-human GPCRs
Length	402
Amino acid sequence	MGACVIVTNTNISSGLESNTTGITAFSMPTWQLALWATAYLALVLVAVTGNATVTWIILAHQRMRTVTNYFIVNLALADLCMAAFNAAFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAIDRYMAIVHPFQPRLSAPSTKAVIGGIWLVALALAFPQCFYSTITEDEGATKCVVAWPEDSRDKSLLLYHLVVIVLIYLLPLTVMFVAYSIIGLTLWRRAVPRHQAHGANLRHLQAKKKFVKTMVLVVVTFAICWLPYHLYFILGSFQEDIYCHKFIQQVYLALFWLAMSSTMYNPIIYCCLNRRFRSGFRLAFRCCPWVTPTEEDKLELTHTPSFSLRVNRCHTKEILFMAGDTVPSEATNGQAGGPQDRESVELSSLPGCRAGPSILAKASS
UniProt	Q64077
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2647
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL66763
Molecular formula	C36H45Cl4N5O5
IUPAC name	3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-[4-[3-(2-morpholin-4-yl-2-oxoethyl)-2-oxopiperidin-1-yl]piperidin-1-yl]pentyl]-N-methylbenzamide
Molecular weight	769.586
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	5.8
Synonyms	BDBM50116077 3,5-Dichloro-N-{3-(3,4-dichloro-phenyl)-2-methoxyimino-5-[3-(2-morpholin-4-yl-2-oxo-ethyl)-2-oxo-[1,4'']bipiperidinyl-1''-yl]-pentyl}-N-ethyl-benzamide
Inchi Key	JMBOHNIWYYCZCP-ZSJGZSGZSA-N
Inchi ID	InChI=1S/C36H45Cl4N5O5/c1-42(35(47)26-18-27(37)22-28(38)19-26)23-33(41-49-2)30(24-5-6-31(39)32(40)20-24)9-13-43-11-7-29(8-12-43)45-10-3-4-25(36(45)48)21-34(46)44-14-16-50-17-15-44/h5-6,18-20,22,25,29-30H,3-4,7-17,21,23H2,1-2H3/b41-33+
PubChem CID	9810835
ChEMBL	CHEMBL66763
IUPHAR	N/A
BindingDB	50116077
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
Kd	50.12 nM	PMID12127519	ChEMBL
Ki	1.0 nM	PMID12127519	BindingDB,ChEMBL

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