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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	diethyl (4-bromobenzylidene)malonate
Molecular formula	C14H15BrO4
IUPAC name	diethyl 2-[(4-bromophenyl)methylidene]propanedioate
Molecular weight	327.174
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.0
Synonyms	DNDI1417400 NSC637153 22399-01-5 CTK0J6440 InChI=1/C14H15BrO4/c1-3-18-13(16)12(14(17)19-4-2)9-10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H SMR000529064 AC1L7UX4 diethyl 2-[(4-bromophenyl)methylene]propanedioate MolPort-003-722-669 SR-01000076616-3 2-(4-bromobenzylidene)malonic acid diethyl ester AKOS002134081 DTXSID20327206 propanedioic acid, [(4-bromophenyl)methylene]-, diethyl ester 4-Bromobenzylidenemalonic acid diethyl ester CHEMBL1362503 MCULE-2388705769 SR-01000076616 AC1Q25ZX diethyl 2-[(4-bromophenyl)methylidene]propanedioate NSC-637153 ZINC1625052 2-[(4-bromophenyl)methylidene]propanedioic acid diethyl ester BDBM62222 HMS2886H18 SCHEMBL1673521 cid_367432 Diethyl 2-(4-bromobenzylidene)malonate MLS000756785 SR-01000076616-1 2-(4-bromo-benzylidene)-malonic acid diethyl ester AFYSUDAWCPZFEQ-UHFFFAOYSA-N [ Show all ]
Inchi Key	AFYSUDAWCPZFEQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H15BrO4/c1-3-18-13(16)12(14(17)19-4-2)9-10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3
PubChem CID	367432
ChEMBL	CHEMBL1362503
IUPHAR	N/A
BindingDB	62222
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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