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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	AC1NHX26
Molecular formula	C22H25N3O4S
IUPAC name	N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(2-cyanophenoxy)acetamide
Molecular weight	427.519
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.2
Synonyms	HMS3043H03 SR-01000071511-1 MolPort-003-192-592 AB00734873-01 SMR001250154 MCULE-7225585526 Z18769145 N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(2-cyanophenoxy)acetamide CHEMBL1532705 SR-01000071511 MLS002169828 ZINC9507239 848067-50-5 AKOS000863566 N-[3-(azepane-1-sulfonyl)-4-methylphenyl]-2-(2-cyanophenoxy)acetamide [ Show all ]
Inchi Key	ACKPCKTXGUYDAF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H25N3O4S/c1-17-10-11-19(14-21(17)30(27,28)25-12-6-2-3-7-13-25)24-22(26)16-29-20-9-5-4-8-18(20)15-23/h4-5,8-11,14H,2-3,6-7,12-13,16H2,1H3,(H,24,26)
PubChem CID	4796998
ChEMBL	CHEMBL1532705
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	5623.4 nM	PubChem BioAssay data set	ChEMBL

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