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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	Bos taurus (Bovine)
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	MGACVVMTDINISSGLDSNATGITAFSMPGWQLALWTAAYLALVLVAVMGNATVIWIILAHQRMRTVTNYFIVNLALADLCMAAFNAAFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPGTRAVIAGIWLVALALAFPQCFYSTITTDEGATKCVVAWPEDSGGKMLLLYHLIVIALIYFLPLVVMFVAYSVIGLTLWRRSVPGHQAHGANLRHLQAKKKFVKTMVLVVVTFAICWLPYHLYFILGTFQEDIYCHKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDKMELTYTPSLSTRVNRCHTKEIFFMSGDVAPSEAVNGQAESPQAGVSTEP
UniProt	P05363
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	CHEMBL4815
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	A-85380
Molecular formula	C9H12N2O
IUPAC name	3-[[(2S)-azetidin-2-yl]methoxy]pyridine
Molecular weight	164.208
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	0.6
Synonyms	A85380 Pyridine, 3-(2-azetidinylmethoxy)-, (S)- 3-((S)-1-Azetidin-2-ylmethoxy)-pyridine BDBM50049750 ZINC3805142 3-[[(2S)-azetidin-2-yl]methoxy]pyridine A-159470 GTPL5460 (S)-3-(AZETIDIN-2-YLMETHOXY)PYRIDINE AC1NSJQT Pyridine, 3-[(2S)-2-azetidinylmethoxy]- 3-(2(s)-azetidinylmethoxy)pyridine CHEMBL59986 NCGC00387223-01 161416-98-4 AKOS030230435 SCHEMBL676026 3-[(2S)-azetidin-2-ylmethoxy]pyridine A 85380 D0Y6OE [ Show all ]
Inchi Key	XKFMBGWHHBCWCD-QMMMGPOBSA-N
Inchi ID	InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
PubChem CID	5310969
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50049750
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	<10000.0 nM	PMID8887981	BindingDB

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