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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	AC1LCK6H
Molecular formula	C23H28N2O5
IUPAC name	N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide
Molecular weight	412.486
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.6
Synonyms	SMR000004261 HMS2176J14 AKOS000700538 Oprea1_203802 CHEMBL1299612 MLS000032407 ASN 05256714 Oprea1_845340 Furan-2-carboxylic acid [cyclopentylcarbamoyl-(2,3-dimethoxy-phenyl)-methyl]-cyclopropyl-amide N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide [ Show all ]
Inchi Key	AEGOBAOSTAGKEJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H28N2O5/c1-28-18-10-5-9-17(21(18)29-2)20(22(26)24-15-7-3-4-8-15)25(16-12-13-16)23(27)19-11-6-14-30-19/h5-6,9-11,14-16,20H,3-4,7-8,12-13H2,1-2H3,(H,24,26)
PubChem CID	651508
ChEMBL	CHEMBL1299612
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	35481.3 nM	PubChem BioAssay data set	ChEMBL

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