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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	AC1OXI2P
Molecular formula	C20H19ClN4O4
IUPAC name	N-(5-chloro-2-cyanophenyl)-2-[3-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
Molecular weight	414.846
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.3
Synonyms	MolPort-005-325-036 AKOS033960865 SMR001249297 MCULE-2858347490 869472-94-6 N-(5-chloro-2-cyanophenyl)-2-[3-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide Z26321304 MLS002166961 N-(5-chloro-2-cyanophenyl)-2-{3-[2-(cyclohex-1-en-1-yl)ethyl]-2,4,5-trioxoimidazolidin-1-yl}acetamide CHEMBL2143614 ZINC6552671 [ Show all ]
Inchi Key	AEYSWCZETKOQMU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H19ClN4O4/c21-15-7-6-14(11-22)16(10-15)23-17(26)12-25-19(28)18(27)24(20(25)29)9-8-13-4-2-1-3-5-13/h4,6-7,10H,1-3,5,8-9,12H2,(H,23,26)
PubChem CID	7998439
ChEMBL	CHEMBL2143614
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	89125.1 nM	PubChem BioAssay data set	ChEMBL

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