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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	MLS001116367
Molecular formula	C19H17ClN4O5S2
IUPAC name	5-chloro-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfonylpyrimidine-4-carboxamide
Molecular weight	480.938
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	2.3
Synonyms	HMS1843D06 ZINC8611924 CCG-100325 MLS003880622 5-chloro-2-mesyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]pyrimidine-4-carboxamide cid_16012865 SMR000625581 5-chloro-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfonylpyrimidine-4-carboxamide MCULE-9344992102 AKOS001873227 MolPort-000-399-296 5-chloro-N-(4-{[methyl(phenyl)amino]sulfonyl}phenyl)-2-(methylsulfonyl)pyrimidine-4-carboxamide D053-0282 STK908420 5-chloro-N-{4-[methyl(phenyl)sulfamoyl]phenyl}-2-(methylsulfonyl)pyrimidine-4-carboxamide BDBM67354 5-chloranyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfonyl-pyrimidine-4-carboxamide CHEMBL1332454 NCGC00115040-01 5-chloro-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfonyl-4-pyrimidinecarboxamide [ Show all ]
Inchi Key	GVDDPQRQWABRJN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H17ClN4O5S2/c1-24(14-6-4-3-5-7-14)31(28,29)15-10-8-13(9-11-15)22-18(25)17-16(20)12-21-19(23-17)30(2,26)27/h3-12H,1-2H3,(H,22,25)
PubChem CID	16012865
ChEMBL	CHEMBL1332454
IUPHAR	N/A
BindingDB	67354
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	8912.5 nM	PubChem BioAssay data set	ChEMBL
Potency	22387.2 nM	PubChem BioAssay data set	ChEMBL

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