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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	MLS000689985
Molecular formula	C23H17NO4
IUPAC name	4-[3-[(1,3-dioxoinden-2-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid
Molecular weight	371.392
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.2
Synonyms	4-[3-[(1,3-dioxoinden-2-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid cid_1233277 SMR000298711 AC1LO4NN MCULE-7379508216 4-[3-[(1,3-diketoindan-2-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid REGID_for_CID_1233277 4-[3-[[1,3-bis(oxidanylidene)inden-2-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid HMS2635G21 ZINC4758608 AKOS001642861 4-[3-[(1,3-dioxo-2-indenylidene)methyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid CHEMBL1304473 REGID_for_CID_242789 4-{3-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid HMS3364K06 BDBM52601 MolPort-002-217-970 [ Show all ]
Inchi Key	AYWOBRMNACLWLN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H17NO4/c1-13-11-16(12-20-21(25)18-5-3-4-6-19(18)22(20)26)14(2)24(13)17-9-7-15(8-10-17)23(27)28/h3-12H,1-2H3,(H,27,28)
PubChem CID	1233277
ChEMBL	CHEMBL1304473
IUPHAR	N/A
BindingDB	N/A
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
17847	Thyrotropin-releasing hormone receptor	P34981	TRHR	Homo sapiens (Human)	398

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