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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

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	Diethyl 2-(4-bromobenzylidene)malonate MLS000756785 SR-01000076616-1 2-(4-bromo-benzylidene)-malonic acid diethyl ester AFYSUDAWCPZFEQ-UHFFFAOYSA-N DNDI1417400 NSC637153 22399-01-5 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 CTK0J6440 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 [ 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.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
4633	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
4635	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
463448	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593
4632	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
4634	Sphingosine 1-phosphate receptor 4	O95977	S1PR4	Homo sapiens (Human)	384

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