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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	AC1MZMD8
Molecular formula	C27H26N2O5S
IUPAC name	[3-acetyloxy-4-[4-(4-methoxyphenyl)-6-phenyl-2-sulfanylidene-1,3-diazinan-4-yl]phenyl] acetate
Molecular weight	490.574
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.1
Synonyms	3-(acetyloxy)-4-[4-(4-methoxyphenyl)-6-phenyl-2-thioxohexahydropyrimidin-4-yl]phenyl acetate ChemDiv1_025860 SR-01000525353 A2061/0086735 MCULE-2001232997 [3-acetyloxy-4-[4-(4-methoxyphenyl)-6-phenyl-2-sulfanylidene-1,3-diazinan-4-yl]phenyl] acetate Oprea1_338181 4-[4-(4-methoxyphenyl)-6-phenyl-2-thioxohexahydropyrimidin-4-yl]-1,3-phenylene diacetate EU-0018685 SR-01000525353-1 MLS000728226 CHEMBL1417544 SMR000306919 4-[4-(4-methoxyphenyl)-6-phenyl-2-thioxohexahydropyrimidin-4-yl]benzene-1,3-diyl diacetate HMS660H10 STK760764 AKOS001754730 MolPort-002-705-891 [ Show all ]
Inchi Key	AGUXLENKMNJEQJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H26N2O5S/c1-17(30)33-22-13-14-23(25(15-22)34-18(2)31)27(20-9-11-21(32-3)12-10-20)16-24(28-26(35)29-27)19-7-5-4-6-8-19/h4-15,24H,16H2,1-3H3,(H2,28,29,35)
PubChem CID	3900484
ChEMBL	CHEMBL1417544
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	141254.0 nM	PubChem BioAssay data set	ChEMBL

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