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GLASS

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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	MLS000084541
Molecular formula	C13H15N9OS
IUPAC name	2-N-(4-methoxyphenyl)-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
Molecular weight	345.385
Hydrogen bond acceptor	10
Hydrogen bond donor	2
XlogP	1.5
Synonyms	SMR000047601 AKOS002206350 MCULE-5773133254 STK853120 (6Z)-6-[(4-methoxyphenyl)imino]-4-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-1,6-dihydro-1,3,5-triazin-2-amine MolPort-000-791-650 N2-(4-methoxyphenyl)-6-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine [4-amino-6-[[(1-methyltetrazol-5-yl)thio]methyl]-s-triazin-2-yl]-(4-methoxyphenyl)amine 810632-94-1 HMS1595D09 ST50133154 AKOS005630249 N-(4-amino-6-{[(1-methyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]methyl}-1,3,5-triazin-2-yl)-N-(4-methoxyphenyl)amine ZINC02209843 2-N-(4-methoxyphenyl)-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine CHEMBL1510369 N2-(4-methoxyphenyl)-6-[[(1-methyl-5-tetrazolyl)thio]methyl]-1,3,5-triazine-2,4-diamine {4-amino-6-[(1-methyl(1,2,3,4-tetraazol-5-ylthio))methyl](1,3,5-triazin-2-yl)} (4-methoxyphenyl)amine AC1LDFGU HMS2378J18 STK508562 BDBM48929 MolPort-000-401-188 N-(4-methoxyphenyl)-6-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine ZINC9361324 cid_666200 [ Show all ]
Inchi Key	BMCWMYPABJUJAZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H15N9OS/c1-22-13(19-20-21-22)24-7-10-16-11(14)18-12(17-10)15-8-3-5-9(23-2)6-4-8/h3-6H,7H2,1-2H3,(H3,14,15,16,17,18)
PubChem CID	666200
ChEMBL	CHEMBL1510369
IUPHAR	N/A
BindingDB	48929
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	15848.9 nM	PubChem BioAssay data set	ChEMBL

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