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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	AC1OFGIQ
Molecular formula	C18H18N2O4S
IUPAC name	(2-methylphenyl)methyl 3-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)propanoate
Molecular weight	358.412
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	1.9
Synonyms	CCG-198748 SMR000634248 HMS1645K09 MLS001028443 ZINC4193551 (2-methylphenyl)methyl 3-(1,1-dioxo-4H-1 HMS2936E04 AKOS002106595 MolPort-003-072-353 CHEMBL1455696 2-methylbenzyl 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)propanoate MCULE-6554515757 [ Show all ]
Inchi Key	AEQBCKQYWCYLPQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H18N2O4S/c1-13-6-2-3-7-14(13)12-24-18(21)11-10-17-19-15-8-4-5-9-16(15)25(22,23)20-17/h2-9H,10-12H2,1H3,(H,19,20)
PubChem CID	7125893
ChEMBL	CHEMBL1455696
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	141254.0 nM	PubChem BioAssay data set	ChEMBL

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