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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	AC1O65BW
Molecular formula	C15H18N4O
IUPAC name	1-(4-butan-2-ylphenyl)-3-pyrazin-2-ylurea
Molecular weight	270.336
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.3
Synonyms	HMS2989O14 MolPort-002-309-995 STK478096 MCULE-3724416919 1-(4-butan-2-ylphenyl)-3-pyrazin-2-ylurea SMR000677981 AKOS003340761 {[4-(methylpropyl)phenyl]amino}-N-pyrazin-2-ylcarboxamide CHEMBL1377198 MLS001230044 1-[4-(butan-2-yl)phenyl]-3-pyrazin-2-ylurea ST50840116 AKOS022149836 [ Show all ]
Inchi Key	AEDNDYCJWUOKSB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H18N4O/c1-3-11(2)12-4-6-13(7-5-12)18-15(20)19-14-10-16-8-9-17-14/h4-11H,3H2,1-2H3,(H2,17,18,19,20)
PubChem CID	6468486
ChEMBL	CHEMBL1377198
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	89125.1 nM	PubChem BioAssay data set	ChEMBL

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