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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	MLS002164468
Molecular formula	C20H28N6OS
IUPAC name	2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanone
Molecular weight	400.545
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	2.8
Synonyms	AC1PNMQE 2-[(1-cyclopropyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(4-{[4-(propan-2-yl)phenyl]methyl}piperazin-1-yl)ethan-1-one Z151960050 879354-91-3 HMS3076F04 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanone AKOS033394573 MolPort-005-516-404 2-[(1-cyclopropyl-5-tetrazolyl)thio]-1-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazinyl]ethanone CHEMBL1357535 ZINC23731397 MCULE-5669073000 2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanone BDBM97163 SMR001246841 2-[(1-cyclopropyltetrazol-5-yl)thio]-1-[4-(4-isopropylbenzyl)piperazino]ethanone cid_9261962 [ Show all ]
Inchi Key	DBQUNKYLWWHSNA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H28N6OS/c1-15(2)17-5-3-16(4-6-17)13-24-9-11-25(12-10-24)19(27)14-28-20-21-22-23-26(20)18-7-8-18/h3-6,15,18H,7-14H2,1-2H3
PubChem CID	9261962
ChEMBL	CHEMBL1357535
IUPHAR	N/A
BindingDB	97163
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	8912.5 nM	PubChem BioAssay data set	ChEMBL

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