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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	AC1NRKQ1
Molecular formula	C19H17FN8O3
IUPAC name	2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide
Molecular weight	424.396
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	0.7
Synonyms	SMR000307122 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-{(E)-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}acetohydrazide MLS000728844 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N'-[[3-(4-fluorophenyl)pyrazol-4-ylidene]methyl]acetohydrazide STK772306 AC1O9D8Y 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'~1~-{(E)-1-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}acetohydrazide CHEMBL1980641 MolPort-002-721-144 A3142/0132864 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N'-{(1E)-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylene}acetohydrazide AKOS001755738 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N'-[(E)-[3-(4-fluorophenyl)pyrazol-4-ylidene]methyl]acetohydrazide MCULE-5150471323 [ Show all ]
Inchi Key	GEMRQMMWCHIEKF-QPJQQBGISA-N
Inchi ID	InChI=1S/C19H17FN8O3/c1-26-17-16(18(30)27(2)19(26)31)28(10-21-17)9-14(29)24-22-7-12-8-23-25-15(12)11-3-5-13(20)6-4-11/h3-8,10H,9H2,1-2H3,(H,23,25)(H,24,29)/b22-7+
PubChem CID	135439671
ChEMBL	CHEMBL1980641
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
560235	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757
560236	Relaxin receptor 2	Q8WXD0	RXFP2	Homo sapiens (Human)	754
560234	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424

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