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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	CHEMBL98760
Molecular formula	C22H24ClN5O2
IUPAC name	4-(4-chloroanilino)-2-morpholin-4-yl-N-propan-2-ylquinazoline-7-carboxamide
Molecular weight	425.917
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.2
Synonyms	BDBM50285960 4-(4-Chloro-phenylamino)-2-morpholin-4-yl-quinazoline-7-carboxylic acid isopropylamide
Inchi Key	ARCOMIDVSXCMLF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H24ClN5O2/c1-14(2)24-21(29)15-3-8-18-19(13-15)26-22(28-9-11-30-12-10-28)27-20(18)25-17-6-4-16(23)5-7-17/h3-8,13-14H,9-12H2,1-2H3,(H,24,29)(H,25,26,27)
PubChem CID	44329367
ChEMBL	CHEMBL98760
IUPHAR	N/A
BindingDB	50285960
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	58700.0 nM	, Bioorg. Med. Chem. Lett., (1995) 5:23:2879	BindingDB,ChEMBL

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