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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	AC1MMT0U
Molecular formula	C14H17NO4
IUPAC name	3-(furan-2-ylmethylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
Molecular weight	263.293
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	1.3
Synonyms	3-{[(2-furylmethyl)amino]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid HMS1489M05 SR-01000113898 AKOS022167789 IDI1_023811 STK453268 3-[(furan-2-ylmethyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid ChemDiv3_005901 MolPort-001-569-434 HMS2159L23 SR-01000113898-1 MCULE-8801082558 3-[N-(2-furylmethyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid EU-0016761 SMR000020273 AKOS003301205 HMS3310B02 ST50939100 2-(furan-2-ylmethylcarbamoyl)bicyclo[2.2.1]heptane-3-carboxylic acid CHEMBL1566470 MLS000043456 [ Show all ]
Inchi Key	AAGKECVCOPVRLG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H17NO4/c16-13(15-7-10-2-1-5-19-10)11-8-3-4-9(6-8)12(11)14(17)18/h1-2,5,8-9,11-12H,3-4,6-7H2,(H,15,16)(H,17,18)
PubChem CID	3243960
ChEMBL	CHEMBL1566470
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	3548.1 nM	PubChem BioAssay data set	ChEMBL

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