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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	2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrimidine
Molecular formula	C15H17ClN4
IUPAC name	2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrimidine
Molecular weight	288.779
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	2.6
Synonyms	AB00077338-01 MCULE-7509471462 Z46211313 2-[4-(2-chlorobenzyl)piperazino]pyrimidine BDBM114611 Oprea1_747867 2-{4-[(2-chlorophenyl)methyl]piperazin-1-yl}pyrimidine cid_750733 SR-01000201703-1 AC1LFARI MLS001008428 ZINC19536524 2-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]pyrimidine SMR000495962 414876-66-7 HMS2845O04 SR-01000201703-3 2-[4-(2-chlorobenzyl)-1-piperazinyl]pyrimidine AKOS003971022 MolPort-002-140-765 CHEMBL1312518 SR-01000201703 [ Show all ]
Inchi Key	DQMBJOGFJSJHGY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H17ClN4/c16-14-5-2-1-4-13(14)12-19-8-10-20(11-9-19)15-17-6-3-7-18-15/h1-7H,8-12H2
PubChem CID	750733
ChEMBL	CHEMBL1312518
IUPHAR	N/A
BindingDB	114611
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	7943.3 nM	PubChem BioAssay data set	ChEMBL

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