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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	AC1N8SW0
Molecular formula	C19H19N3O6S
IUPAC name	2-[N-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]-4-propan-2-ylanilino]acetic acid
Molecular weight	417.436
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	1.9
Synonyms	NCGC00140918-01 CHEMBL1442377 MCULE-2585956464 AKOS002120492 SR-01000103476 HMS1916P15 2-[N-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]-4-propan-2-ylanilino]acetic acid MolPort-007-949-842 SR-01000103476-1 K906-1684 [ Show all ]
Inchi Key	AHNWRZJYWFOXRL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H19N3O6S/c1-11(2)12-3-5-13(6-4-12)22(10-17(23)24)29(27,28)14-7-8-15-16(9-14)21-19(26)18(25)20-15/h3-9,11H,10H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)
PubChem CID	4324374
ChEMBL	CHEMBL1442377
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	158489.0 nM	PubChem BioAssay data set	ChEMBL

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