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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	Rattus norvegicus (Rat)
Gene	Tacr2
Synonym	TAC2R Substance K receptor SP-E receptor SKR NKNAR NK2 receptor NK-2R NK-2 receptor Neurokinin B receptor Neurokinin A receptor Tachykinin receptor 2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	390
Amino acid sequence	MGTRAIVSDANILSGLESNATGVTAFSMPGWQLALWATAYLALVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFIYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPSTKAIIAGIWLVALALASPQCFYSTITVDEGATKCVVAWPNDNGGKMLLLYHLVVFVLIYFLPLLVMFGAYSVIGLTLWKRAVPRHQAHGANLRHLQAKKKFVKAMVLVVLTFAICWLPYHLYFILGTFQEDIYYHKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTHTPSLSRRVNRCHTKETLFMTGDMTHSEATNGQVGSPQDGEPAGPICKAQA
UniProt	P16610
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	CHEMBL4554
IUPHAR	361
DrugBank	N/A

Ligand

Name	CHEMBL338825
Molecular formula	C24H27FN4O
IUPAC name	3-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one
Molecular weight	406.505
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.4
Synonyms	3-benzyl-8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one
Inchi Key	GRIDUXWKYXOBJN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H27FN4O/c25-20-6-7-22-21(14-20)19(15-26-22)8-11-28-12-9-24(10-13-28)17-29(23(30)27-24)16-18-4-2-1-3-5-18/h1-7,14-15,26H,8-13,16-17H2,(H,27,30)
PubChem CID	10476440
ChEMBL	CHEMBL338825
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1.259 nM	PMID7562907	ChEMBL

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