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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.
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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	MLS000724783
Molecular formula	C18H18ClF2N3O2S2
IUPAC name	4-(3-chlorophenyl)-N-[3-(difluoromethylsulfonyl)phenyl]piperazine-1-carbothioamide
Molecular weight	445.928
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.1
Synonyms	AKOS000809899 4-(3-chlorophenyl)-N-[3-(difluoromethylsulfonyl)phenyl]piperazine-1-carbothioamide CHEMBL1388940 SMR000236945 690249-48-0 HMS2592G04 ZINC2709006 4-(3-chlorophenyl)-N-(3-((difluoromethyl)sulfonyl)phenyl)piperazine-1-carbothioamide BDBM61810 MolPort-000-380-038 4-(3-chlorophenyl)-N-{3-[(difluoromethyl)sulfonyl]phenyl}piperazine-1-carbothioamide cid_2147112 ST50777176 AC1M2MFU MCULE-9967929023 {[3-({[4-(3-chlorophenyl)piperazinyl]thioxomethyl}amino)phenyl]sulfonyl}difluo romethane 4-(3-chlorophenyl)-N-[3-(difluoromethylsulfonyl)phenyl]-1-piperazinecarbothioamide N-[3-[bis(fluoranyl)methylsulfonyl]phenyl]-4-(3-chlorophenyl)piperazine-1-carbothioamide F1743-0022 STK807724 [ Show all ]
Inchi Key	AFYSBOFSBZXDRD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H18ClF2N3O2S2/c19-13-3-1-5-15(11-13)23-7-9-24(10-8-23)18(27)22-14-4-2-6-16(12-14)28(25,26)17(20)21/h1-6,11-12,17H,7-10H2,(H,22,27)
PubChem CID	2147112
ChEMBL	CHEMBL1388940
IUPHAR	N/A
BindingDB	61810
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	15848.9 nM	PubChem BioAssay data set	ChEMBL

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