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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	SMR000131285
Molecular formula	C23H20ClN3O2S
IUPAC name	(E)-3-[(4-chlorophenyl)methylsulfanyl]-2-cyano-N-(furan-2-ylmethyl)-3-(2-methylanilino)prop-2-enamide
Molecular weight	437.942
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	5.6
Synonyms	(2E)-3-[(4-chlorobenzyl)thio]-2-cyano-N-(2-furylmethyl)-3-[(2-methylphenyl)amino]acrylamide MolPort-007-916-230 CHEMBL1541531 SR-01000563465 MLS000520876 AKOS002081275 REGID_for_CID_9551202 HMS2393E21 SR-01000563465-1 MLS002588642 HMS663C07 ZINC3058889 [ Show all ]
Inchi Key	KMKVIZIVVPUGGP-BSYVCWPDSA-N
Inchi ID	InChI=1S/C23H20ClN3O2S/c1-16-5-2-3-7-21(16)27-23(30-15-17-8-10-18(24)11-9-17)20(13-25)22(28)26-14-19-6-4-12-29-19/h2-12,27H,14-15H2,1H3,(H,26,28)/b23-20+
PubChem CID	9551202
ChEMBL	CHEMBL1541531
IUPHAR	N/A
BindingDB	N/A
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
172742	Lutropin-choriogonadotropic hormone receptor	P22888	LHCGR	Homo sapiens (Human)	699
172743	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
172741	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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