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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	MLS000117714
Molecular formula	C19H26N2O5S
IUPAC name	2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(3-methylbutyl)acetamide
Molecular weight	394.486
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.6
Synonyms	BDBM37786 MLS002587356 2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(3-methylbutyl)ethanamide cid_5307092 SCHEMBL12008022 AC1NSBTD MCULE-6837008708 2-({[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfonyl)-N-(3-methylbutyl)acetamide MolPort-007-639-731 2-[[2-(3-methoxyphenyl)-5-methyl-4-oxazolyl]methylsulfonyl]-N-(3-methylbutyl)acetamide HMS2237K09 SMR000094662 AKOS001841793 2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(3-methylbutyl)acetamide CHEMBL1545295 N-isoamyl-2-[[2-(3-methoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfonyl]acetamide HMS3366L17 ZINC5058436 [ Show all ]
Inchi Key	CGNPCWDCNXIDCJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H26N2O5S/c1-13(2)8-9-20-18(22)12-27(23,24)11-17-14(3)26-19(21-17)15-6-5-7-16(10-15)25-4/h5-7,10,13H,8-9,11-12H2,1-4H3,(H,20,22)
PubChem CID	5307092
ChEMBL	CHEMBL1545295
IUPHAR	N/A
BindingDB	37786
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	19952.6 nM	PubChem BioAssay data set	ChEMBL

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