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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	MLS000395028
Molecular formula	C24H20N2O5S
IUPAC name	ethyl 2-[[(E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate
Molecular weight	448.493
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	5.1
Synonyms	BDBM61618 HMS2576O21 2-[[(E)-2-cyano-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester cid_1527596 SMR000248448 AC1LT7Q6 ethyl 2-[[(E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate ZINC1453716 2-[[(E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester ethyl 2-[(2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoylamino]-4-phenyl thiophene-3-carboxylate ST50078726 AKOS001035148 ethyl 2-{[(2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}-4-phenylthiophene-3-carboxylate CHEMBL1504949 MolPort-000-455-612 ethyl 2-[[(E)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate STK949794 [ Show all ]
Inchi Key	CZYYREQPVVSTNX-GZTJUZNOSA-N
Inchi ID	InChI=1S/C24H20N2O5S/c1-3-31-24(29)21-18(16-7-5-4-6-8-16)14-32-23(21)26-22(28)17(13-25)11-15-9-10-19(27)20(12-15)30-2/h4-12,14,27H,3H2,1-2H3,(H,26,28)/b17-11+
PubChem CID	1527596
ChEMBL	CHEMBL1504949
IUPHAR	N/A
BindingDB	61618
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
54808	G-protein coupled receptor 35	Q9HC97	GPR35	Homo sapiens (Human)	309

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