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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	SR-01000201524
Molecular formula	C18H24N4O
IUPAC name	2-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine
Molecular weight	312.417
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	2.7
Synonyms	2-[4-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperazin-1-yl]pyrimidine CHEMBL1403343 SR-01000201524-1 AB00077133-01 MLS001008418 2-[4-(4-methoxy-2,3-dimethyl-benzyl)piperazino]pyrimidine Cambridge id 5258748 SMR000495945 2-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-piperazinyl]pyrimidine cid_791369 SR-01000201524-3 AC1LGA11 MolPort-002-112-392 2-[4-(4-methoxy-2,3-dimethylbenzyl)-1-piperazinyl]pyrimidine 2-[4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-1-yl]pyrimidine HMS2821A12 BDBM114625 Oprea1_462766 [ Show all ]
Inchi Key	IFZHSFXLDNNMOM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H24N4O/c1-14-15(2)17(23-3)6-5-16(14)13-21-9-11-22(12-10-21)18-19-7-4-8-20-18/h4-8H,9-13H2,1-3H3
PubChem CID	791369
ChEMBL	CHEMBL1403343
IUPHAR	N/A
BindingDB	114625
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	22387.2 nM	PubChem BioAssay data set	ChEMBL

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