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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	MLS001007696
Molecular formula	C19H19N3O2S
IUPAC name	N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
Molecular weight	353.44
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.9
Synonyms	752219-52-6 cpn-9 N-[4-(2-pyridinyl)-2-thiazolyl]-2-(2,4,6-trimethylphenoxy)acetamide AKOS034087662 MCULE-3543770856 SMR000384802 CHEMBL1534949 N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide HMS2702P14 N-[4-(2-pyridyl)thiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide BDBM80018 TL80090040 2-(mesityloxy)-N-(4-(pyridin-2-yl)thiazol-2-yl)acetamide cid_4011297 N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)ethanamide AC1N1UIO KB-271985 SCHEMBL14988852 MolPort-004-043-525 ZINC6043967 [ Show all ]
Inchi Key	GFIBBYANFXZDMS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H19N3O2S/c1-12-8-13(2)18(14(3)9-12)24-10-17(23)22-19-21-16(11-25-19)15-6-4-5-7-20-15/h4-9,11H,10H2,1-3H3,(H,21,22,23)
PubChem CID	4011297
ChEMBL	CHEMBL1534949
IUPHAR	N/A
BindingDB	80018
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	25118.9 nM	PubChem BioAssay data set	ChEMBL

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