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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	AC1NJ8X2
Molecular formula	C15H12ClN3O7S
IUPAC name	[2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate
Molecular weight	413.785
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	1.6
Synonyms	HMS3069N03 [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate AB00732566-01 MolPort-005-317-291 ZINC9120345 MCULE-6792825753 SMR001248962 CHEMBL1720661 [(2-chloropyridin-3-yl)carbamoyl]methyl 4-methanesulfonyl-3-nitrobenzoate 557758-57-3 MLS002166619 AKOS033487403 Z16344707 [ Show all ]
Inchi Key	AEKCIJZRWZGMQH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H12ClN3O7S/c1-27(24,25)12-5-4-9(7-11(12)19(22)23)15(21)26-8-13(20)18-10-3-2-6-17-14(10)16/h2-7H,8H2,1H3,(H,18,20)
PubChem CID	4843439
ChEMBL	CHEMBL1720661
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	19952.6 nM	PubChem BioAssay data set	ChEMBL

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