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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	CHEMBL1402439
Molecular formula	C16H16N4O
IUPAC name	N-(1H-benzimidazol-2-yl)-3-(dimethylamino)benzamide
Molecular weight	280.331
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.9
Synonyms	744213-07-8 MLS001174607 BDBM50067177 N-(1H-benzimidazol-2-yl)-3-(dimethylamino)benzamide HMS2897B24 ZINC12508066 AC1M1FHT MolPort-004-035-919 SMR000591550 MCULE-9827239527 AKOS008916781 N-(1H-1,3-benzodiazol-2-yl)-3-(dimethylamino)benzamide Z27666285 [ Show all ]
Inchi Key	YBHKNPOLPRIBBG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H16N4O/c1-20(2)12-7-5-6-11(10-12)15(21)19-16-17-13-8-3-4-9-14(13)18-16/h3-10H,1-2H3,(H2,17,18,19,21)
PubChem CID	2094784
ChEMBL	CHEMBL1402439
IUPHAR	N/A
BindingDB	50067177
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	31622.8 nM	PubChem BioAssay data set	ChEMBL

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