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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	MLS000679069
Molecular formula	C13H18N2O2S
IUPAC name	ethyl 2-[(E)-dimethylaminomethylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Molecular weight	266.359
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	2.5
Synonyms	MolPort-019-736-731 ethyl 2-{[(dimethylamino)methylene]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate SR-01000240019-1 CHEMBL3198343 SMR000270000 ethyl 2-{[(E)-(dimethylamino)methylidene]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate ST50050887 AKOS001053759 MolPort-000-223-216 ethyl 2-[(1E)-2-(dimethylamino)-1-azavinyl]-4,5,6-trihydrocyclopenta[2,1-b]thi ophene-3-carboxylate SR-01000240019 HMS1587C01 STL306003 [ Show all ]
Inchi Key	AEZXGOOZIUWETC-RIYZIHGNSA-N
Inchi ID	InChI=1S/C13H18N2O2S/c1-4-17-13(16)11-9-6-5-7-10(9)18-12(11)14-8-15(2)3/h8H,4-7H2,1-3H3/b14-8+
PubChem CID	9586827
ChEMBL	CHEMBL3198343
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	79432.8 nM	PubChem BioAssay data set	ChEMBL

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