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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	MLS000775553
Molecular formula	C21H16ClN3O3
IUPAC name	N-[(E)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide
Molecular weight	393.827
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	3.9
Synonyms	N-[(E)-[3-[(4-chlorobenzoyl)amino]benzylidene]amino]-4-hydroxy-benzamide BDBM96067 N-[(E)-[3-[[(4-chlorophenyl)-oxomethyl]amino]phenyl]methylideneamino]-4-hydroxybenzamide cid_6907129 N-[(E)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide SMR000370430 AC1OC0D6 N-[(E)-[3-[(4-chlorophenyl)carbonylamino]phenyl]methylideneamino]-4-oxidanyl-benzamide CHEMBL3194626 [ Show all ]
Inchi Key	AGJQYPKAVVIMAD-YDZHTSKRSA-N
Inchi ID	InChI=1S/C21H16ClN3O3/c22-17-8-4-15(5-9-17)20(27)24-18-3-1-2-14(12-18)13-23-25-21(28)16-6-10-19(26)11-7-16/h1-13,26H,(H,24,27)(H,25,28)/b23-13+
PubChem CID	6907129
ChEMBL	CHEMBL3194626
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	141254.0 nM	PubChem BioAssay data set	ChEMBL

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