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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	4-methyl-N-(2-((2-methyl-1H-indol-3-yl)thio)ethyl)-3-nitrobenzamide
Molecular formula	C19H19N3O3S
IUPAC name	4-methyl-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-3-nitrobenzamide
Molecular weight	369.439
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.1
Synonyms	SMR000237386 HMS2245J09 AC1M1VFQ MolPort-003-029-648 CHEMBL1482428 ZINC2721108 4-methyl-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-3-nitrobenzamide MCULE-5082687366 AKOS024585374 REGID_for_CID_2156471 F0582-0175 850916-36-8 MLS000696881 [ Show all ]
Inchi Key	AGMGENGONYQXHT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H19N3O3S/c1-12-7-8-14(11-17(12)22(24)25)19(23)20-9-10-26-18-13(2)21-16-6-4-3-5-15(16)18/h3-8,11,21H,9-10H2,1-2H3,(H,20,23)
PubChem CID	2156471
ChEMBL	CHEMBL1482428
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	31622.8 nM	PubChem BioAssay data set	ChEMBL

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