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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	SMR000026250
Molecular formula	C15H15ClN2O
IUPAC name	2-[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole
Molecular weight	274.748
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.2
Synonyms	AC1MMC5M HMS2327C12 2-[1-(2-chlorobenzyl)-1H-pyrrol-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole SR-01000126037 MLS000091702 2-[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]-4-methyl-4,5-dihydro-1,3-oxazole SR-01000126037-1 CHEMBL1377295 [ Show all ]
Inchi Key	AHHHMMOYBXAEJD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H15ClN2O/c1-11-10-19-15(17-11)14-7-4-8-18(14)9-12-5-2-3-6-13(12)16/h2-8,11H,9-10H2,1H3
PubChem CID	3236444
ChEMBL	CHEMBL1377295
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	12589.3 nM	PubChem BioAssay data set	ChEMBL

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