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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	MLS000773968
Molecular formula	C20H19NO3S
IUPAC name	N-[2-(3,4-dihydroxyphenyl)ethyl]-2-naphthalen-2-ylsulfanylacetamide
Molecular weight	353.436
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	4.3
Synonyms	Enamine_003348 N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(naphthalen-2-ylsulfanyl)acetamide AKOS034460163 MCULE-9463602139 SMR000364796 CHEMBL1535553 N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2-naphthalenylthio)acetamide 521281-88-9 HMS1403I04 N-[2-(3,4-dihydroxyphenyl)ethyl]-2-naphthalen-2-ylsulfanylacetamide BDBM66604 Z56841996 cid_3316998 N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2-naphthylthio)acetamide AC1MO9ZB HMS2709D06 N-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-2-naphthalen-2-ylsulfanyl-ethanamide MolPort-004-252-388 ZINC4979883 [ Show all ]
Inchi Key	GHZCKDRULRJZIA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H19NO3S/c22-18-8-5-14(11-19(18)23)9-10-21-20(24)13-25-17-7-6-15-3-1-2-4-16(15)12-17/h1-8,11-12,22-23H,9-10,13H2,(H,21,24)
PubChem CID	3316998
ChEMBL	CHEMBL1535553
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	7079.5 nM	PubChem BioAssay data set	ChEMBL

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