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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	SMR000046898
Molecular formula	C20H19N7O3S2
IUPAC name	2-[(15,15-dimethyl-16-oxa-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
Molecular weight	469.538
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	2.0
Synonyms	HMS2295C16 862489-17-6 MLS002584587 STK594961 MCULE-7494940195 AC1LDE7Q MolPort-002-633-732 CHEMBL1390005 2-[(12,12-dimethyl-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide MLS000084021 AKOS005516544 [ Show all ]
Inchi Key	ATZKGDNDJGVKBO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H19N7O3S2/c1-20(2)6-12-13(8-30-20)32-17-15(12)16-22-10-23-27(16)18-24-25-19(26(17)18)31-9-14(28)21-7-11-4-3-5-29-11/h3-5,10H,6-9H2,1-2H3,(H,21,28)
PubChem CID	665622
ChEMBL	CHEMBL1390005
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
14450	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
14451	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757
14452	Relaxin receptor 2	Q8WXD0	RXFP2	Homo sapiens (Human)	754
14449	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424

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