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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	AC1MQN6I
Molecular formula	C18H22N4O6S2
IUPAC name	N-[4-[2-[(4-acetamidophenyl)sulfonylamino]ethylsulfamoyl]phenyl]acetamide
Molecular weight	454.516
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	-0.1
Synonyms	KS-00003TTX STK068361 ARONIS000044 MolPort-001-513-838 CHEMBL1480162 N-[4-[2-[(4-acetamidophenyl)sulfonylamino]ethylsulfamoyl]phenyl]acetamide MCULE-9704826975 ZINC9554024 BB0277436 N,N'-[1,2-ethanediylbis(iminosulfonyl-4,1-phenylene)]diacetamide HMS2832H24 SMR000502094 AKOS000489679 MLS001183531 N,N'-[ethane-1,2-diylbis(sulfamoylbenzene-4,1-diyl)]diacetamide [ Show all ]
Inchi Key	ADWUVDWIBLAUEM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H22N4O6S2/c1-13(23)21-15-3-7-17(8-4-15)29(25,26)19-11-12-20-30(27,28)18-9-5-16(6-10-18)22-14(2)24/h3-10,19-20H,11-12H2,1-2H3,(H,21,23)(H,22,24)
PubChem CID	3504436
ChEMBL	CHEMBL1480162
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	50118.7 nM	PubChem BioAssay data set	ChEMBL

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