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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Parathyroid hormone/parathyroid hormone-related peptide receptor
Species	Homo sapiens (Human)
Gene	PTH1R
Synonym	PTH1 receptor PTHR PTH/PTHrP type I receptor PTH/PTHr receptor PPR Parathyroid hormone 1 receptor PTHR1 [ Show all ]
Disease	N/A
Length	593
Amino acid sequence	MGTARIAPGLALLLCCPVLSSAYALVDADDVMTKEEQIFLLHRAQAQCEKRLKEVLQRPASIMESDKGWTSASTSGKPRKDKASGKLYPESEEDKEAPTGSRYRGRPCLPEWDHILCWPLGAPGEVVAVPCPDYIYDFNHKGHAYRRCDRNGSWELVPGHNRTWANYSECVKFLTNETREREVFDRLGMIYTVGYSVSLASLTVAVLILAYFRRLHCTRNYIHMHLFLSFMLRAVSIFVKDAVLYSGATLDEAERLTEEELRAIAQAPPPPATAAAGYAGCRVAVTFFLYFLATNYYWILVEGLYLHSLIFMAFFSEKKYLWGFTVFGWGLPAVFVAVWVSVRATLANTGCWDLSSGNKKWIIQVPILASIVLNFILFINIVRVLATKLRETNAGRCDTRQQYRKLLKSTLVLMPLFGVHYIVFMATPYTEVSGTLWQVQMHYEMLFNSFQGFFVAIIYCFCNGEVQAEIKKSWSRWTLALDFKRKARSGSSSYSYGPMVSHTSVTNVGPRVGLGLPLSPRLLPTATTNGHPQLPGHAKPGTPALETLETTPPAMAAPKDDGFLNGSCSGLDEEASGPERPPALLQEEWETVM
UniProt	Q03431
Protein Data Bank	6fj3, 3h3g, 3c4m
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 6fj3.
BioLiP	BL0161387, BL0433539,BL0433540, BL0161388, BL0143680,BL0143682, BL0143681,BL0143683
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1793
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	2-[(4-ethylanilino)methyl]-4(3H)-quinazolinone
Molecular formula	C17H17N3O
IUPAC name	2-[(4-ethylanilino)methyl]-3H-quinazolin-4-one
Molecular weight	279.343
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.2
Synonyms	AC1MX8J2 SMR000168998 CHEMBL1457301 ZINC13142240 MLS000549415 AKOS005110245 SR-01000310128 134577-51-8 HMS2382C05 2-{[(4-ethylphenyl)amino]methyl}-3,4-dihydroquinazolin-4-one MS-3206 SR-01000310128-1 2-[(4-ethylanilino)methyl]-1H-quinazolin-4-one KS-00003OVC [ Show all ]
Inchi Key	ADIICRZHCKZPKX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H17N3O/c1-2-12-7-9-13(10-8-12)18-11-16-19-15-6-4-3-5-14(15)17(21)20-16/h3-10,18H,2,11H2,1H3,(H,19,20,21)
PubChem CID	135492079
ChEMBL	CHEMBL1457301
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
Potency	28183.8 nM	PubChem BioAssay data set	ChEMBL

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