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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	MLS001116397
Molecular formula	C20H19ClN4O5S2
IUPAC name	5-chloro-2-ethylsulfonyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]pyrimidine-4-carboxamide
Molecular weight	494.965
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	2.6
Synonyms	5-chloro-2-ethylsulfonyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-4-pyrimidinecarboxamide D053-0371 STK883726 AKOS001872932 5-chloro-2-(ethylsulfonyl)-N-{4-[methyl(phenyl)sulfamoyl]phenyl}pyrimidine-4-carboxamide CHEMBL1416089 NCGC00115074-01 5-chloro-2-ethylsulfonyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]pyrimidine-4-carboxamide HMS1843F08 ZINC8611965 5-chloranyl-2-ethylsulfonyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]pyrimidine-4-carboxamide BDBM54838 MLS003880625 5-chloro-2-esyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]pyrimidine-4-carboxamide cid_16012896 SMR000625584 MCULE-5762921859 5-chloro-2-(ethylsulfonyl)-N-(4-{[methyl(phenyl)amino]sulfonyl}phenyl)pyrimidine-4-carboxamide MolPort-000-399-417 [ Show all ]
Inchi Key	BQRKTURWLVUUPM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H19ClN4O5S2/c1-3-31(27,28)20-22-13-17(21)18(24-20)19(26)23-14-9-11-16(12-10-14)32(29,30)25(2)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,23,26)
PubChem CID	16012896
ChEMBL	CHEMBL1416089
IUPHAR	N/A
BindingDB	54838
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	14125.4 nM	PubChem BioAssay data set	ChEMBL

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