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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.
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	Mesocricetus auratus (Golden hamster)
Gene	TACR2
Synonym	Neurokinin A receptor NK-2 receptor NK-2R SKR Tachykinin receptor 2
Disease	N/A for non-human GPCRs
Length	384
Amino acid sequence	MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP
UniProt	P51144
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	CHEMBL2304405
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL150346
Molecular formula	C23H24N2O2
IUPAC name	3-benzyl-1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-one
Molecular weight	360.457
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.2
Synonyms	BDBM50283964 3-Benzyl-1-(3-1H-indol-3-yl-propionyl)-piperidin-4-one
Inchi Key	ABVRPWLCNGXHIF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H24N2O2/c26-22-12-13-25(16-19(22)14-17-6-2-1-3-7-17)23(27)11-10-18-15-24-21-9-5-4-8-20(18)21/h1-9,15,19,24H,10-14,16H2
PubChem CID	44366600
ChEMBL	CHEMBL150346
IUPHAR	N/A
BindingDB	50283964
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	6900.0 nM	, Bioorg. Med. Chem. Lett., (1994) 4:3:525	BindingDB,ChEMBL

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