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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	MLS000712137
Molecular formula	C19H21N5O3S
IUPAC name	2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide
Molecular weight	399.469
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.3
Synonyms	AC1LM9S9 SMR000281904 2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenethylacetamide BDBM61829 cid_1175629 2-[[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]thio]-N-phenethyl-acetamide Oprea1_358649 2-[1-(3,4-Dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide AKOS000690597 ZINC932355 2-[[1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-(2-phenylethyl)ethanamide HMS2697L15 Oprea1_415798 2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide ASN 04455669 CHEMBL1412141 2-[[1-(3,4-dimethoxyphenyl)-5-tetrazolyl]thio]-N-(2-phenylethyl)acetamide [ Show all ]
Inchi Key	BQCOODYWNRYBNX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21N5O3S/c1-26-16-9-8-15(12-17(16)27-2)24-19(21-22-23-24)28-13-18(25)20-11-10-14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3,(H,20,25)
PubChem CID	1175629
ChEMBL	CHEMBL1412141
IUPHAR	N/A
BindingDB	61829
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	112202.0 nM	PubChem BioAssay data set	ChEMBL

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