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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	MLS000389682
Molecular formula	C18H15ClN4O3
IUPAC name	(4Z)-2-(4-chloro-3-nitrophenyl)-4-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazol-5-one
Molecular weight	370.793
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.6
Synonyms	(5Z)-2-(4-chloro-3-nitrophenyl)-5-[(4-dimethylaminophenyl)methylidene]-1H-imidazol-4-one CHEMBL1335315 (5Z)-2-(4-chloranyl-3-nitro-phenyl)-5-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazol-4-one BDBM67259 ZINC3173718 (5Z)-2-(4-chloro-3-nitrophenyl)-5-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazol-4-one cid_2311561 AC1M4NHX SMR000255956 (5Z)-2-(4-chloro-3-nitro-phenyl)-5-[4-(dimethylamino)benzylidene]-2-imidazolin-4-one 4-{[4-(dimethylamino)phenyl]methylene}-2-(4-chloro-3-nitrophenyl)-1,3-diazolin -5-one HMS2599P13 AKOS001025599 ST50984887 [ Show all ]
Inchi Key	ABMXCSNRCQOXLG-DHDCSXOGSA-N
Inchi ID	InChI=1S/C18H15ClN4O3/c1-22(2)13-6-3-11(4-7-13)9-15-18(24)21-17(20-15)12-5-8-14(19)16(10-12)23(25)26/h3-10H,1-2H3,(H,20,21,24)/b15-9-
PubChem CID	135433205
ChEMBL	CHEMBL1335315
IUPHAR	N/A
BindingDB	67259
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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