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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	MLS001199098
Molecular formula	C25H35N5O
IUPAC name	N-[2-(diethylamino)ethyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridin-5-yl]propanamide
Molecular weight	421.589
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.3
Synonyms	BDBM62138 N-[2-(diethylamino)ethyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]propanamide cid_23603500 N-[2-(diethylamino)ethyl]-3-[3,4,6-trimethyl-1-(p-tolyl)pyrazolo[3,4-b]pyridin-5-yl]propionamide N-[2-(diethylamino)ethyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)-5-pyrazolo[3,4-b]pyridinyl]propanamide HMS2868O15 SMR000563225 AKOS001865324 MolPort-007-684-590 CHEMBL1319565 N-[2-(diethylamino)ethyl]-3-[3,4,6-trimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridin-5-yl]propanamide MCULE-5790689067 ZINC5151977 [ Show all ]
Inchi Key	CRZGIBBJIJHGEQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H35N5O/c1-7-29(8-2)16-15-26-23(31)14-13-22-18(4)24-20(6)28-30(25(24)27-19(22)5)21-11-9-17(3)10-12-21/h9-12H,7-8,13-16H2,1-6H3,(H,26,31)
PubChem CID	23603500
ChEMBL	CHEMBL1319565
IUPHAR	N/A
BindingDB	62138
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	112202.0 nM	PubChem BioAssay data set	ChEMBL

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