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GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL171719
Molecular formula	C33H36Cl2N2O7S
IUPAC name	[(5R)-5-(3,4-dichlorophenyl)-5-[2-(2,2-dioxospiro[1H-2-benzothiophene-3,4'-piperidine]-1'-yl)ethyl]-1,3-oxazolidin-3-yl]-(3,4,5-trimethoxyphenyl)methanone
Molecular weight	675.618
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	4.8
Synonyms	BDBM50217529 1'-[2-[(5R)-3-(3,4,5-Trimethoxybenzoyl)-5-(3,4-dichlorophenyl)-5alpha-oxazolidinyl]ethyl]spiro[benzo[c]thiophene-1(3H),4'-piperidine]2,2-dioxide
Inchi Key	DEGCEPYVVJVQIG-YTTGMZPUSA-N
Inchi ID	InChI=1S/C33H36Cl2N2O7S/c1-41-28-16-23(17-29(42-2)30(28)43-3)31(38)37-20-32(44-21-37,24-8-9-26(34)27(35)18-24)10-13-36-14-11-33(12-15-36)25-7-5-4-6-22(25)19-45(33,39)40/h4-9,16-18H,10-15,19-21H2,1-3H3/t32-/m0/s1
PubChem CID	44382212
ChEMBL	CHEMBL171719
IUPHAR	N/A
BindingDB	50217529
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	0.019 ug.mL-1	PMID10206553	ChEMBL
IC50	19.0 nM	PMID10206553	BindingDB

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