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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	MLS000716936
Molecular formula	C16H14F3N3O5S
IUPAC name	2-[3-(2,4-dimethoxyphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
Molecular weight	417.359
Hydrogen bond acceptor	12
Hydrogen bond donor	2
XlogP	3.1
Synonyms	2-[3-(2,4-dimethoxyphenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid BDBM97103 REGID_for_CID_4157793 2-[3-(2,4-dimethoxyphenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid cid_4157793 AKOS005224685 2-[3-(2,4-dimethoxyphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid SMR000278453 HMS2650I03 2-[3-(2,4-dimethoxyphenyl)-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]thiazole-4-carboxylic acid ASN 13121597 MolPort-000-124-602 2-[3-(2,4-dimethoxyphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-4-thiazolecarboxylic acid CHEMBL1543980 STL447485 AC1N4MFE MCULE-8682610489 [ Show all ]
Inchi Key	AADHNFIRCRYOGZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H14F3N3O5S/c1-26-8-3-4-9(12(5-8)27-2)10-6-15(25,16(17,18)19)22(21-10)14-20-11(7-28-14)13(23)24/h3-5,7,25H,6H2,1-2H3,(H,23,24)
PubChem CID	4157793
ChEMBL	CHEMBL1543980
IUPHAR	N/A
BindingDB	97103
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor.

Experimental Data

Parameter	Value	Reference	Database source
Potency	125892.0 nM	PubChem BioAssay data set	ChEMBL

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