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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	SMR000095170
Molecular formula	C15H12N2O3S2
IUPAC name	2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]-N-phenylacetamide
Molecular weight	332.392
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.5
Synonyms	BDBM60394 MCULE-7984681500 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]-N-phenylacetamide ChemDiv2_006792 AC1NSC1L HMS2244A06 2-[(1,1-diketo-1,2-benzothiazol-3-yl)thio]-N-phenyl-acetamide MLS000118226 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)thio]-N-phenylacetamide cid_5307202 STL287173 AKOS022137264 IDI1_005507 2-[(1,1-dioxido-1,2-benzothiazol-3-yl)sulfanyl]-N-phenylacetamide CHEMBL1547321 MolPort-027-807-374 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]sulfanyl]-N-phenyl-ethanamide HMS1388E16 ZINC4958835 [ Show all ]
Inchi Key	AGHRALKGLMEALT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H12N2O3S2/c18-14(16-11-6-2-1-3-7-11)10-21-15-12-8-4-5-9-13(12)22(19,20)17-15/h1-9H,10H2,(H,16,18)
PubChem CID	5307202
ChEMBL	CHEMBL1547321
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	10000.0 nM	PubChem BioAssay data set	ChEMBL

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