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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	AC1OHM6K
Molecular formula	C20H24FN3O3S
IUPAC name	2-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide
Molecular weight	405.488
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.1
Synonyms	CHEMBL1339148 2-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]acetamide MCULE-1530140434 AKOS024625261 SMR000808035 F2068-0732 897621-73-7 MLS001235252 ZINC4323181 2-(4-fluorophenyl)-N-(2-((4-phenylpiperazin-1-yl)sulfonyl)ethyl)acetamide HMS3005O09 MolPort-003-098-366 [ Show all ]
Inchi Key	ADFQBOWNVVTPGD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H24FN3O3S/c21-18-8-6-17(7-9-18)16-20(25)22-10-15-28(26,27)24-13-11-23(12-14-24)19-4-2-1-3-5-19/h1-9H,10-16H2,(H,22,25)
PubChem CID	7188818
ChEMBL	CHEMBL1339148
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	56234.1 nM	PubChem BioAssay data set	ChEMBL

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