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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	MLS000701132
Molecular formula	C13H13Cl2N3O
IUPAC name	4-chloro-N-[(4-chlorophenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
Molecular weight	298.167
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.0
Synonyms	AKOS003749662 MolPort-001-674-359 ZINC1012072 4-chloro-N-(4-chlorobenzyl)-2,5-dimethyl-pyrazole-3-carboxamide CHEMBL1340112 MCULE-7877704537 4-chloranyl-N-[(4-chlorophenyl)methyl]-2,5-dimethyl-pyrazole-3-carboxamide BDBM89289 SMR000228049 4-chloro-N-[(4-chlorophenyl)methyl]-2,5-dimethyl-3-pyrazolecarboxamide cid_1231799 AC1LO1N3 4-chloro-N-(4-chlorobenzyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide STK315932 4-chloro-N-[(4-chlorophenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide HMS2579G11 [ Show all ]
Inchi Key	HYNPQFXPTKAQCU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H13Cl2N3O/c1-8-11(15)12(18(2)17-8)13(19)16-7-9-3-5-10(14)6-4-9/h3-6H,7H2,1-2H3,(H,16,19)
PubChem CID	1231799
ChEMBL	CHEMBL1340112
IUPHAR	N/A
BindingDB	89289
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	22387.2 nM	PubChem BioAssay data set	ChEMBL

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