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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	2-(4-chlorophenyl)-N'-(3-pyridinylmethylene)-4-quinolinecarbohydrazide
Molecular formula	C22H15ClN4O
IUPAC name	2-(4-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
Molecular weight	386.839
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.3
Synonyms	STK424934 2-(4-chlorophenyl)-N'-[(E)-pyridin-3-ylmethylidene]quinoline-4-carbohydrazide MolPort-001-488-325 AK-968/40358826 SMR000476840 CHEMBL1968065 2-(4-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide MolPort-019-756-429 AKOS000986867 ST50922145 MLS001178468 AC1OB71W N-((1E)-2-(3-pyridyl)-1-azavinyl)[2-(4-chlorophenyl)(4-quinolyl)]carboxamide [ Show all ]
Inchi Key	AADCXZXYAUHWRX-AFUMVMLFSA-N
Inchi ID	InChI=1S/C22H15ClN4O/c23-17-9-7-16(8-10-17)21-12-19(18-5-1-2-6-20(18)26-21)22(28)27-25-14-15-4-3-11-24-13-15/h1-14H,(H,27,28)/b25-14+
PubChem CID	6874043
ChEMBL	CHEMBL1968065
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	17782.8 nM	PubChem BioAssay data set	ChEMBL

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