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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-(2,5-dinitrothiophen-3-yl)pyrimidine
Molecular formula	C8H4N4O4S
IUPAC name	2-(2,5-dinitrothiophen-3-yl)pyrimidine
Molecular weight	252.204
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	1.9
Synonyms	cid_3319616 AC1MOFRG REGID_for_CID_3319616 2-(2,5-dinitro-3-thienyl)pyrimidine HMS2611I20 2-{2,5-bisnitro-3-thienyl}pyrimidine AI-942/13331097 SMR000226688 CHEMBL1400481 2-(2,5-dinitro-3-thiophenyl)pyrimidine MLS000700336 BDBM34827 [ Show all ]
Inchi Key	JHHSYNZURGGRBL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H4N4O4S/c13-11(14)6-4-5(8(17-6)12(15)16)7-9-2-1-3-10-7/h1-4H
PubChem CID	3319616
ChEMBL	CHEMBL1400481
IUPHAR	N/A
BindingDB	34827
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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