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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	MLS000033400
Molecular formula	C13H9Cl2N5O2
IUPAC name	3-(2,6-dichlorophenyl)-5-methyl-N-(1,2,4-triazol-4-yl)-1,2-oxazole-4-carboxamide
Molecular weight	338.148
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.5
Synonyms	CHEMBL1379251 ST50236284 3-[2,6-bis(chloranyl)phenyl]-5-methyl-N-(1,2,4-triazol-4-yl)-1,2-oxazole-4-carboxamide MCULE-8095847633 [3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]-N-(1,2,4-triazol-4-yl)carboxami de 3-(2,6-dichlorophenyl)-5-methyl-N-(1,2,4-triazol-4-yl)-1,2-oxazole-4-carboxamide AKOS000675796 MolPort-001-669-606 3-(2,6-dichlorophenyl)-5-methyl-N-(4H-1,2,4-triazol-4-yl)-1,2-oxazole-4-carboxamide Cambridge id 5536804 cid_653675 STK395920 AC1LCOXH 3-(2,6-dichlorophenyl)-5-methyl-N-(1,2,4-triazol-4-yl)-4-isoxazolecarboxamide BAS 00629242 SMR000009301 3-(2,6-dichlorophenyl)-5-methyl-N-(4H-1,2,4-triazol-4-yl)-4-isoxazolecarboxamide HMS2295J23 ZINC304234 3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid [1,2,4]triazol-4-ylamide AG-690/37071262 MLS002535170 3-(2,6-dichlorophenyl)-5-methyl-N-(1,2,4-triazol-4-yl)isoxazole-4-carboxamide BDBM56828 [ Show all ]
Inchi Key	AGMQKWUVLYPZHJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H9Cl2N5O2/c1-7-10(13(21)18-20-5-16-17-6-20)12(19-22-7)11-8(14)3-2-4-9(11)15/h2-6H,1H3,(H,18,21)
PubChem CID	653675
ChEMBL	CHEMBL1379251
IUPHAR	N/A
BindingDB	N/A
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	11220.2 nM	PubChem BioAssay data set	ChEMBL

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