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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	benzyl (2E)-2-cyano-2-[(4-methoxyphenyl)hydrazono]ethanimidothioate
Molecular formula	C17H16N4OS
IUPAC name	benzyl (2E)-2-cyano-2-[(4-methoxyphenyl)hydrazinylidene]ethanimidothioate
Molecular weight	324.402
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.9
Synonyms	SR-01000088981-1 benzyl (2E)-2-cyano-2-[2-(4-methoxyphenyl)hydrazinylidene]ethanimidothioate MCULE-2235110126 ZINC100548138 A0389/0017909 SMR000306615 benzyl (2E)-2-cyano-2-[(4-methoxyphenyl)hydrazinylidene]ethanimidothioate ST097971 MLS000727920 AC1O477F SR-01000088981 CHEMBL2369166 STK747616 (2E)-2-[imino(phenylmethylthio)methyl]-3-[(4-methoxyphenyl)amino]-3-azaprop-2- enenitrile MolPort-002-685-615 AKOS001716211 [ Show all ]
Inchi Key	AHNCEMPSZPZZTF-RWGRRXIQSA-N
Inchi ID	InChI=1S/C17H16N4OS/c1-22-15-9-7-14(8-10-15)20-21-16(11-18)17(19)23-12-13-5-3-2-4-6-13/h2-10,19-20H,12H2,1H3/b19-17?,21-16+
PubChem CID	6401021
ChEMBL	CHEMBL2369166
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	19952.6 nM	PubChem BioAssay data set	ChEMBL

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