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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	MLS001236176
Molecular formula	C18H18FN5O2S
IUPAC name	2-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
Molecular weight	387.433
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.5
Synonyms	HMS2976N21 872856-78-5 MolPort-003-081-445 2-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide CHEBI:117240 cid_16614183 2-[[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-N-(tetrahydrofurfuryl)acetamide MCULE-6739207189 AKOS001358378 SMR000806858 2-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)ethanamide F1874-0523 2-{[1-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide 2-((1-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide BDBM70175 Z226986310 2-[[1-(4-fluorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(2-oxolanylmethyl)acetamide CHEMBL1713996 [ Show all ]
Inchi Key	ABDLIIONBBQBGV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H18FN5O2S/c19-12-3-5-13(6-4-12)24-17-15(9-23-24)18(22-11-21-17)27-10-16(25)20-8-14-2-1-7-26-14/h3-6,9,11,14H,1-2,7-8,10H2,(H,20,25)
PubChem CID	16614183
ChEMBL	CHEMBL1713996
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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