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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	AC1PMN3Z
Molecular formula	C24H26N4O2
IUPAC name	5-cyclopropyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-phenylpyrazole-3-carboxamide
Molecular weight	402.498
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.9
Synonyms	5-cyclopropyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-phenylpyrazole-3-carboxamide MLS002245062 AKOS034426176 Z51902820 HMS3056M09 879146-98-2 MolPort-005-515-726 ZINC8038792 2-[1-(3-cyclopropyl-1-phenyl-1H-pyrazol-5-yl)-N-methylformamido]-N-(2,5-dimethylphenyl)acetamide MCULE-7206331043 SMR001308728 CHEMBL1710926 [ Show all ]
Inchi Key	AATGRRSSBQPJOL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H26N4O2/c1-16-9-10-17(2)20(13-16)25-23(29)15-27(3)24(30)22-14-21(18-11-12-18)26-28(22)19-7-5-4-6-8-19/h4-10,13-14,18H,11-12,15H2,1-3H3,(H,25,29)
PubChem CID	9169753
ChEMBL	CHEMBL1710926
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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