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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	MLS001002475
Molecular formula	C18H14N2O2S
IUPAC name	4-[(Z)-(2-methylindol-3-ylidene)methyl]-2-(5-methylthiophen-2-yl)-1,3-oxazol-5-ol
Molecular weight	322.382
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.7
Synonyms	AC1O0FJD BDBM72637 SR-01000052821 (4Z)-4-[(2-methyl-1H-indol-3-yl)methylidene]-2-(5-methylthiophen-2-yl)-1,3-oxazol-5-one cid_6038768 AC1OBDS6 MolPort-039-259-276 (4Z)-4-[(2-methyl-1H-indol-3-yl)methylene]-2-(5-methyl-2-thienyl)-2-oxazolin-5-one SR-01000052821-1 4-[(2-methyl-1H-indol-3-yl)methylidene]-2-(5-methylthiophen-2-yl)-1,3-oxazol-5-one HMS2665M22 AKOS034157798 SMR000368939 (4Z)-4-[(2-methyl-1H-indol-3-yl)methylidene]-2-(5-methyl-2-thiophenyl)-5-oxazolone CHEMBL1306347 [ Show all ]
Inchi Key	AADRLICLFOKYNJ-UKTHLTGXSA-N
Inchi ID	InChI=1S/C18H14N2O2S/c1-10-7-8-16(23-10)17-20-15(18(21)22-17)9-13-11(2)19-14-6-4-3-5-12(13)14/h3-9,21H,1-2H3/b13-9+
PubChem CID	135520044
ChEMBL	CHEMBL1306347
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	44668.4 nM	PubChem BioAssay data set	ChEMBL

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