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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	MLS000393867
Molecular formula	C19H16ClFN4O5S2
IUPAC name	1-(2-chloro-5-nitrophenyl)sulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
Molecular weight	498.928
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	3.7
Synonyms	1-(2-chloranyl-5-nitro-phenyl)sulfonyl-N-(6-fluoranyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide BDBM114057 MLS003914217 1-(2-chloro-5-nitrophenyl)sulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide cid_3608891 Z27969907 AC1MTWBW 1-(2-chloro-5-nitro-phenyl)sulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)isonipecotamide MolPort-004-276-773 1-(2-chloro-5-nitrophenyl)sulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide HMS2544P21 ZINC8692751 AKOS034033661 MLS000393867-02 1-(2-chloro-5-nitrobenzenesulfonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CHEMBL1422155 SMR000247334 785813-27-6 MCULE-6063825227 [ Show all ]
Inchi Key	HOYKZJHYKWIIDL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H16ClFN4O5S2/c20-14-3-2-13(25(27)28)10-17(14)32(29,30)24-7-5-11(6-8-24)18(26)23-19-22-15-4-1-12(21)9-16(15)31-19/h1-4,9-11H,5-8H2,(H,22,23,26)
PubChem CID	3608891
ChEMBL	CHEMBL1422155
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	6309.6 nM	PubChem BioAssay data set	ChEMBL

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