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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	MLS001250385
Molecular formula	C18H22N2O5
IUPAC name	dimethyl (3S)-3-cyclohexyl-4-oxo-3-phenyldiazetidine-1,2-dicarboxylate
Molecular weight	346.383
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.7
Synonyms	BDBM78423 cid_24856324 SR-01000786811-4 (3S)-3-cyclohexyl-4-keto-3-phenyl-diazetidine-1,2-dicarboxylic acid dimethyl ester HMS2205C06 SMR000798330 dimethyl (3S)-3-cyclohexyl-4-oxidanylidene-3-phenyl-1,2-diazetidine-1,2-dicarboxylate (3S)-3-cyclohexyl-4-oxo-3-phenyldiazetidine-1,2-dicarboxylic acid dimethyl ester HMS3334M01 CHEMBL1397381 SR-01000786811 dimethyl (3S)-3-cyclohexyl-4-oxo-3-phenyldiazetidine-1,2-dicarboxylate [ Show all ]
Inchi Key	AAVLLOQMPXZIFJ-GOSISDBHSA-N
Inchi ID	InChI=1S/C18H22N2O5/c1-24-16(22)19-15(21)18(20(19)17(23)25-2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3,5-6,9-10,14H,4,7-8,11-12H2,1-2H3/t18-/m1/s1
PubChem CID	24856324
ChEMBL	CHEMBL1397381
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	35481.3 nM	PubChem BioAssay data set	ChEMBL

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