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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	AC1M8JC3
Molecular formula	C24H26N4O3
IUPAC name	[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
Molecular weight	418.497
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.7
Synonyms	CHEMBL2142291 [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate MLS002248900 2-oxo-2-(4-phenylpiperazin-1-yl)ethyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoate AKOS033372476 Z14760162 HMS3052L17 MolPort-004-054-730 956949-62-5 ZINC3370044 MCULE-6405827868 SMR001316357 [ Show all ]
Inchi Key	ABACYGISGDWJLD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H26N4O3/c1-18-16-19(2)28(25-18)22-10-8-20(9-11-22)24(30)31-17-23(29)27-14-12-26(13-15-27)21-6-4-3-5-7-21/h3-11,16H,12-15,17H2,1-2H3
PubChem CID	2487889
ChEMBL	CHEMBL2142291
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	50118.7 nM	PubChem BioAssay data set	ChEMBL

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