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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	SMR000131790
Molecular formula	C23H16N2O4
IUPAC name	(3E)-1-(4-hydroxyphenyl)-3-[(4-nitrophenyl)methylidene]-5-phenylpyrrol-2-one
Molecular weight	384.391
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.6
Synonyms	HMS2458A11 ZINC5073018 AC1NT6FQ BIM-0004097.P001 MolPort-006-780-803 (3E)-1-(4-hydroxyphenyl)-3-(4-nitrobenzylidene)-5-phenyl-2-pyrrolin-2-one CHEMBL1491719 SR-01000415359 (3E)-1-(4-hydroxyphenyl)-3-[(4-nitrophenyl)methylidene]-5-phenylpyrrol-2-one AKOS003221962 HMS644F04 CB06365 (3E)-1-(4-hydroxyphenyl)-3-[(4-nitrophenyl)methylidene]-5-phenyl-2-pyrrolone cid_5346268 SR-01000415359-1 BDBM55412 MLS000521382 SMSF0011405 (3E)-1-(4-hydroxyphenyl)-3-[(4-nitrophenyl)methylidene]-5-phenyl-pyrrol-2-one [ Show all ]
Inchi Key	GQDXXWHROQBAHL-NBVRZTHBSA-N
Inchi ID	InChI=1S/C23H16N2O4/c26-21-12-10-19(11-13-21)24-22(17-4-2-1-3-5-17)15-18(23(24)27)14-16-6-8-20(9-7-16)25(28)29/h1-15,26H/b18-14+
PubChem CID	5346268
ChEMBL	CHEMBL1491719
IUPHAR	N/A
BindingDB	55412
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	35481.3 nM	PubChem BioAssay data set	ChEMBL

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