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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	AC1M2LTZ
Molecular formula	C21H19N3O5S
IUPAC name	[2-(3-nitroanilino)-2-oxoethyl] 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate
Molecular weight	425.459
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.9
Synonyms	ZINC2655859 MCULE-9157027598 SMR000253364 CHEMBL1423949 [(3-nitrophenyl)carbamoyl]methyl 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate MLS000335610 AKOS033414906 Z15429375 HMS2531K16 [2-(3-nitroanilino)-2-oxoethyl] 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate 749919-05-9 MolPort-004-041-901 [ Show all ]
Inchi Key	AEYFOOLBTNGWRK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H19N3O5S/c1-13-6-8-15(9-7-13)21-18(30-14(2)22-21)11-20(26)29-12-19(25)23-16-4-3-5-17(10-16)24(27)28/h3-10H,11-12H2,1-2H3,(H,23,25)
PubChem CID	2119540
ChEMBL	CHEMBL1423949
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	112202.0 nM	PubChem BioAssay data set	ChEMBL

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