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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	SR-01000835302
Molecular formula	C25H26ClN3O3S
IUPAC name	N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-4-chloro-N-methylbenzenesulfonamide
Molecular weight	484.011
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.0
Synonyms	AC1MG67D MLS001060570 SR-01000835302-2 N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-4-chloro-N-methyl-benzenesulfonamide 4-chloranyl-N-methyl-N-[4-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]benzenesulfonamide HMS2974C11 SMR000669568 AKOS000377396 MLS003907550 STL072077 CHEMBL1302429 N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-4-chloro-N-methylbenzenesulfonamide 4-chloro-N-methyl-N-[4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]benzenesulfonamide MCULE-1336827598 BDBM114604 MolPort-002-297-717 ZINC13896674 cid_2981176 N-{4-[(4-benzylpiperazin-1-yl)carbonyl]phenyl}-4-chloro-N-methylbenzenesulfonamide [ Show all ]
Inchi Key	AMCHGSHJMDQEAO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H26ClN3O3S/c1-27(33(31,32)24-13-9-22(26)10-14-24)23-11-7-21(8-12-23)25(30)29-17-15-28(16-18-29)19-20-5-3-2-4-6-20/h2-14H,15-19H2,1H3
PubChem CID	2981176
ChEMBL	CHEMBL1302429
IUPHAR	N/A
BindingDB	114604
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	50118.7 nM	PubChem BioAssay data set	ChEMBL

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