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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.
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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	MLS000581434
Molecular formula	C14H10ClF2N3O4
IUPAC name	1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-nitrophenyl)urea
Molecular weight	357.698
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.1
Synonyms	BDBM67975 N-[3-chloro-4-(difluoromethoxy)phenyl]-N'-(4-nitrophenyl)urea cid_2957586 ST50838258 1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-nitrophenyl)urea AC1MG9FZ N-[4-(difluoromethoxy)-3-chlorophenyl][(4-nitrophenyl)amino]carboxamide HMS2549M24 STK459577 1-[4-[bis(fluoranyl)methoxy]-3-chloranyl-phenyl]-3-(4-nitrophenyl)urea MolPort-001-627-132 AKOS003328539 CHEMBL1342907 SMR000200059 MCULE-4000651672 ZINC5042000 [ Show all ]
Inchi Key	BMQFHNRBXLDKPP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H10ClF2N3O4/c15-11-7-9(3-6-12(11)24-13(16)17)19-14(21)18-8-1-4-10(5-2-8)20(22)23/h1-7,13H,(H2,18,19,21)
PubChem CID	2957586
ChEMBL	CHEMBL1342907
IUPHAR	N/A
BindingDB	67975
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	766.7 nM	PubChem BioAssay data set	ChEMBL

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