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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	(4-methylphenyl)[4-(phenylsulfonyl)piperazin-1-yl]methanone
Molecular formula	C18H20N2O3S
IUPAC name	[4-(benzenesulfonyl)piperazin-1-yl]-(4-methylphenyl)methanone
Molecular weight	344.429
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	2.4
Synonyms	1-(4-methylbenzoyl)-4-(phenylsulfonyl)piperazine BRD-K61581335-001-07-1 SMR000301278 681845-07-8 EU-0020132 VH16 AFYWAQYXTPMOSG-UHFFFAOYSA-N MLS000862429 [4-(benzenesulfonyl)piperazin-1-yl]-(4-methylphenyl)methanone 1-(benzenesulfonyl)-4-(4-methylbenzoyl)piperazine ST4076363 A2907/0122491 HMS2641M04 Z29406261 (4-methylphenyl)[4-(phenylsulfonyl)piperazino]methanone AKOS000392273 MolPort-002-105-103 [4-(benzenesulfonyl)piperazin-1-yl]-(p-tolyl)methanone 4-methylphenyl 4-(phenylsulfonyl)piperazinyl ketone CHEMBL1224685 STK710939 (4-Benzenesulfonylpiperazin-1-yl)(p-tolyl)methanone AC1LE6YB MCULE-9958977193 ZINC94626 [ Show all ]
Inchi Key	AFYWAQYXTPMOSG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H20N2O3S/c1-15-7-9-16(10-8-15)18(21)19-11-13-20(14-12-19)24(22,23)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3
PubChem CID	707395
ChEMBL	CHEMBL1224685
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	112202.0 nM	PubChem BioAssay data set	ChEMBL

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