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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	MLS003120552
Molecular formula	C22H13F4NO2
IUPAC name	4-(3,4-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]-1-benzofuran-7-carboxamide
Molecular weight	399.345
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.1
Synonyms	4-(3,4-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]-1-benzofuran-7-carboxamide MLS004802422 BDBM93939 cid_49778249 4-(3,4-difluorophenyl)-N-[(3,4-difluorophenyl)methyl]-7-benzofurancarboxamide N-(3,4-difluorobenzyl)-4-(3,4-difluorophenyl)benzofuran-7-carboxamide 4-[3,4-bis(fluoranyl)phenyl]-N-[[3,4-bis(fluoranyl)phenyl]methyl]-1-benzofuran-7-carboxamide SMR001289933 CHEMBL2131227 [ Show all ]
Inchi Key	ACPYWUVVAGNCOF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H13F4NO2/c23-17-5-1-12(9-19(17)25)11-27-22(28)16-4-3-14(15-7-8-29-21(15)16)13-2-6-18(24)20(26)10-13/h1-10H,11H2,(H,27,28)
PubChem CID	49778249
ChEMBL	CHEMBL2131227
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Potency	15848.9 nM	PubChem BioAssay data set	ChEMBL

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