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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	4-chlorobenzaldehyde N-phenylsemicarbazone
Molecular formula	C14H12ClN3O
IUPAC name	1-[(E)-(4-chlorophenyl)methylideneamino]-3-phenylurea
Molecular weight	273.72
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	3.2
Synonyms	CHEMBL3191729 SCHEMBL17452451 AKOS000485968 MLS000575465 STK059505 (2E)-2-(4-chlorobenzylidene)-N-phenylhydrazinecarboxamide BB0274036 NSC-213892 93535-29-6 DTXSID00425931 SMR000184715 AN-329/40405109 MolPort-001-024-586 ZINC31729551 1-[(E)-(4-chlorophenyl)methylideneamino]-3-phenylurea NSC213892 AC1OAOEO KB-97823 ST036458 ARONIS018756 MolPort-009-658-259 {[(1E)-2-(4-chlorophenyl)-1-azavinyl]amino}-N-benzamide [ Show all ]
Inchi Key	ABYDHFCNXZFOEE-MHWRWJLKSA-N
Inchi ID	InChI=1S/C14H12ClN3O/c15-12-8-6-11(7-9-12)10-16-18-14(19)17-13-4-2-1-3-5-13/h1-10H,(H2,17,18,19)/b16-10+
PubChem CID	6862758
ChEMBL	CHEMBL3191729
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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