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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	SMR000143662
Molecular formula	C17H22N4O
IUPAC name	6-amino-3-tert-butyl-4-cyclohex-2-en-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Molecular weight	298.39
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.0
Synonyms	AKOS003599136 MolPort-005-975-875 498536-14-4 CHEMBL1497388 SR-01000282996-1 6-amino-3-tert-butyl-4-cyclohex-2-en-1-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile MLS000537025 AKOS005632053 6-amino-3-tert-butyl-4-(2-cyclohexen-1-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile HMS2425A18 STK857332 AC1MGJ94 MolPort-002-277-031 SR-01000282996 6-amino-3-tert-butyl-4-(cyclohex-2-en-1-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile MCULE-5225964034 [ Show all ]
Inchi Key	AFTHMAMOWSXMPL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H22N4O/c1-17(2,3)14-13-12(10-7-5-4-6-8-10)11(9-18)15(19)22-16(13)21-20-14/h5,7,10,12H,4,6,8,19H2,1-3H3,(H,20,21)
PubChem CID	2961886
ChEMBL	CHEMBL1497388
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	89125.1 nM	PubChem BioAssay data set	ChEMBL

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