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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	CHEMBL1559360
Molecular formula	C18H16FNO5S2
IUPAC name	4-(benzenesulfonyl)-2-(4-fluorophenyl)-5-propan-2-ylsulfonyl-1,3-oxazole
Molecular weight	409.446
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	3.6
Synonyms	4-(benzenesulfonyl)-2-(4-fluorophenyl)-5-(propane-2-sulfonyl)-1,3-oxazole MCULE-3117949188 CCG-75328 Z443419574 D093-0005 891020-70-5 MolPort-007-687-776 ZINC8612225 2-(4-fluorophenyl)-5-(isopropylsulfonyl)-4-(phenylsulfonyl)-1,3-oxazole HMS1845O05 AKOS001887961 NCGC00115755-01 [ Show all ]
Inchi Key	AAMANOMKILIQMT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H16FNO5S2/c1-12(2)26(21,22)18-17(27(23,24)15-6-4-3-5-7-15)20-16(25-18)13-8-10-14(19)11-9-13/h3-12H,1-2H3
PubChem CID	16013352
ChEMBL	CHEMBL1559360
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	12589.3 nM	PubChem BioAssay data set	ChEMBL

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