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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	MLS002249163
Molecular formula	C15H16N4O5S2
IUPAC name	3-nitro-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)benzamide
Molecular weight	396.436
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	1.4
Synonyms	BDBM97168 SMR001316611 3-nitro-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)benzamide 790242-83-0 cid_3932658 AC1N061X 3-nitro-4-[4-(2-thienylsulfonyl)piperazino]benzamide Z31101881 HMS3067C16 AKOS034151671 MolPort-004-278-449 3-nitro-4-(4-thiophen-2-ylsulfonyl-1-piperazinyl)benzamide 3-nitro-4-[4-(thiophene-2-sulfonyl)piperazin-1-yl]benzamide CHEMBL1709973 ZINC9512178 AB00728405-01 MCULE-4432068332 [ Show all ]
Inchi Key	HTBGYCAMPKEQMQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H16N4O5S2/c16-15(20)11-3-4-12(13(10-11)19(21)22)17-5-7-18(8-6-17)26(23,24)14-2-1-9-25-14/h1-4,9-10H,5-8H2,(H2,16,20)
PubChem CID	3932658
ChEMBL	CHEMBL1709973
IUPHAR	N/A
BindingDB	97168
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	12589.3 nM	PubChem BioAssay data set	ChEMBL

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