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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	708241-96-7
Molecular formula	C17H18BrN3O2
IUPAC name	1-(6-bromonaphthalen-2-yl)oxy-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-ol
Molecular weight	376.254
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.7
Synonyms	AKOS002244062 MolPort-002-347-052 1-(6-bromonaphthalen-2-yl)oxy-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-ol CHEMBL1577776 SR-01000279679-1 MCULE-5383383446 1-((6-bromonaphthalen-2-yl)oxy)-3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propan-2-ol AKOS016316340 SMR000077257 1-[(6-bromo-2-naphthyl)oxy]-3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-2-propanol F1757-0267 ST50753537 AC1MGABB MLS000050152 1-(3,5-dimethyl(1,2,4-triazolyl))-3-(6-bromo(2-naphthyloxy))propan-2-ol SR-01000279679 1-[(6-bromonaphthalen-2-yl)oxy]-3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propan-2-ol HMS2451B08 Z274555548 [ Show all ]
Inchi Key	BDTADVQLXVDSMJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H18BrN3O2/c1-11-19-12(2)21(20-11)9-16(22)10-23-17-6-4-13-7-15(18)5-3-14(13)8-17/h3-8,16,22H,9-10H2,1-2H3
PubChem CID	2957973
ChEMBL	CHEMBL1577776
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	35481.3 nM	PubChem BioAssay data set	ChEMBL

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