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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	2-amino-4-[(4-bromobenzyl)sulfanyl]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
Molecular formula	C19H19BrN4S
IUPAC name	2-amino-4-[(4-bromophenyl)methylsulfanyl]-3-azaspiro[5.5]undeca-1,4-diene-1,5-dicarbonitrile
Molecular weight	415.353
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	5.4
Synonyms	AKOS003677738 SMR000114666 CHEMBL1349570 AC1LO70Z MLS000594415 CHEBI:109842 ZINC4396724 HMS2388C12 AK-777/37037008 MolPort-000-934-099 8-amino-10-[(4-bromophenyl)methylsulfanyl]-9-azaspiro[5.5]undeca-7,10-diene-7,11-dicarbonitrile MCULE-2080940019 [ Show all ]
Inchi Key	AHWXPMSTZOIWOT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H19BrN4S/c20-14-6-4-13(5-7-14)12-25-18-16(11-22)19(8-2-1-3-9-19)15(10-21)17(23)24-18/h4-7,24H,1-3,8-9,12,23H2
PubChem CID	1215650
ChEMBL	CHEMBL1349570
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Potency	39810.7 nM	PubChem BioAssay data set	ChEMBL

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