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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	5-Nitro-2-p-tolyl-1H-benzoimidazole
Molecular formula	C14H11N3O2
IUPAC name	2-(4-methylphenyl)-6-nitro-1H-benzimidazole
Molecular weight	253.261
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.8
Synonyms	NSC-657181 SR-01000389451 6-nitro-2-(p-tolyl)-1H-benzimidazole cid_376349 HMS2667I07 Oprea1_671510 2-(4-Methylphenyl)-5-nitro-1H-benzoimidazole AKOS000297244 MolPort-001-914-006 SCHEMBL17898263 5-Nitro-2-(4-methylphenyl)benzimidazole NSC657181 SR-01000389451-1 1571-90-0 AC1L8CFN CTK6B8151 MCULE-7686884703 SCHEMBL13856173 2-(4-methylphenyl)-5-nitrobenzimidazole BAS 00082638 NCI60_019802 SMR000279525 CHEMBL1446966 EU-0033453 Oprea1_576997 ZINC5504055 1H-benzimidazole, 2-(4-methylphenyl)-5-nitro- AC1Q21C3 MLS000717957 SCHEMBL14103639 2-(4-methylphenyl)-6-nitro-1H-benzimidazole BDBM49811 [ Show all ]
Inchi Key	AAMPIRQLXWIYCV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H11N3O2/c1-9-2-4-10(5-3-9)14-15-12-7-6-11(17(18)19)8-13(12)16-14/h2-8H,1H3,(H,15,16)
PubChem CID	376349
ChEMBL	CHEMBL1446966
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	3548.1 nM	PubChem BioAssay data set	ChEMBL

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