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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-(1-Adamantyl)-1-methyl-2-oxoethyl thiocyanate
Molecular formula	C14H19NOS
IUPAC name	[1-(1-adamantyl)-1-oxopropan-2-yl] thiocyanate
Molecular weight	249.372
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.7
Synonyms	Propan-1-one, 1-(1-adamantanyl)-2-thiocyanato- HMS1608M05 SR-01000396892-1 AFHOTHXGVBTAHP-UHFFFAOYSA-N MolPort-003-722-102 CHEMBL1544162 SMR000304574 2-(1-Adamantyl)-1-methyl-2-oxoethyl thiocyanate # HMS2608B18 [1-(1-adamantyl)-1-oxopropan-2-yl] thiocyanate AKOS025150566 Oprea1_284307 CTK6A2912 SR-01000396892 AC1LBLMX MLS000720045 [ Show all ]
Inchi Key	AFHOTHXGVBTAHP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H19NOS/c1-9(17-8-15)13(16)14-5-10-2-11(6-14)4-12(3-10)7-14/h9-12H,2-7H2,1H3
PubChem CID	584851
ChEMBL	CHEMBL1544162
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	11220.2 nM	PubChem BioAssay data set	ChEMBL

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