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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	CHEMBL1734241
Molecular formula	C18H19F3N4O4S2
IUPAC name	2-[[2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
Molecular weight	476.489
Hydrogen bond acceptor	10
Hydrogen bond donor	2
XlogP	2.1
Synonyms	SMR001248633 BDBM50342351 HMS3053F09 870698-01-4 MolPort-005-325-151 Z31017859 2-(2-(4-(2-(trifluoromethyl)phenylsulfonyl)piperazin-1-yl)acetamido)thiophene-3-carboxamide MCULE-7093763854 NCGC00241095-01 AKOS034150207 ZINC35963748 2-(2-{4-[2-(trifluoromethyl)benzenesulfonyl]piperazin-1-yl}acetamido)thiophene-3-carboxamide MLS002166283 [ Show all ]
Inchi Key	AAAZRMGPBSWFDK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H19F3N4O4S2/c19-18(20,21)13-3-1-2-4-14(13)31(28,29)25-8-6-24(7-9-25)11-15(26)23-17-12(16(22)27)5-10-30-17/h1-5,10H,6-9,11H2,(H2,22,27)(H,23,26)
PubChem CID	16231644
ChEMBL	CHEMBL1734241
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	44668.4 nM	PubChem BioAssay data set	ChEMBL

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