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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	AC1MOBES
Molecular formula	C25H24N2O6S
IUPAC name	[4-[4-[(3-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl]phenyl] acetate
Molecular weight	480.535
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.9
Synonyms	MCULE-7728116194 SMR000371760 CHEMBL1461346 [4-[4-[(3-morpholin-4-ylsulfonylphenyl)carbamoyl]phenyl]phenyl] Acetate 378191-20-9 MLS000774466 AKOS034116974 Z30000849 HMS2673H19 4'-{[3-(morpholine-4-sulfonyl)phenyl]carbamoyl}-[1,1'-biphenyl]-4-yl acetate MolPort-004-247-869 ZINC9096848 [ Show all ]
Inchi Key	AAGFIORJXVOUBC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H24N2O6S/c1-18(28)33-23-11-9-20(10-12-23)19-5-7-21(8-6-19)25(29)26-22-3-2-4-24(17-22)34(30,31)27-13-15-32-16-14-27/h2-12,17H,13-16H2,1H3,(H,26,29)
PubChem CID	3317655
ChEMBL	CHEMBL1461346
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	44668.4 nM	PubChem BioAssay data set	ChEMBL

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