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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	SMR000024980
Molecular formula	C15H10F7NO
IUPAC name	[3,3-bis(trifluoromethyl)-2-azabicyclo[2.2.1]hept-5-en-2-yl]-(3-fluorophenyl)methanone
Molecular weight	353.24
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	4.2
Synonyms	MCULE-8443695653 ST092261 AAUCBLGUBWYLGP-UHFFFAOYSA-N MLS002589568 [3,3-bis(trifluoromethyl)-2-azabicyclo[2.2.1]hept-5-en-2-yl](3-fluorophenyl)methanone HMS2159I22 SR-01000531588 3,3-bis(trifluoromethyl)-2-azabicyclo[2.2.1]hept-5-en-2-yl 3-fluorophenyl keto ne Methanone, (3-fluorophenyl)[3,3-di(trifluoromethyl)-2-azabicyclo[2,2,1]hept-5-en-2-yl)- STK676964 AC1LBALR CHEMBL1504734 MolPort-002-709-175 2-(3-Fluorobenzoyl)-3,3-bis(trifluoromethyl)-2-azabicyclo[2.2.1]hept-5-ene HMS3308G22 SR-01000531588-1 A2401/0101711 MLS000090370 [2,2-bis(trifluoromethyl)-3-azabicyclo[2.2.1]hept-5-en-3-yl]-(3-fluorophenyl)methanone AKOS005594466 CTK7C1593 2-(3-Fluorobenzoyl)-3,3-bis(trifluoromethyl)-2-azabicyclo[2.2.1]hept-5-ene # [ Show all ]
Inchi Key	AAUCBLGUBWYLGP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H10F7NO/c16-10-3-1-2-8(6-10)12(24)23-11-5-4-9(7-11)13(23,14(17,18)19)15(20,21)22/h1-6,9,11H,7H2
PubChem CID	579369
ChEMBL	CHEMBL1504734
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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