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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	AC1NIFRM
Molecular formula	C19H24N6O5
IUPAC name	[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
Molecular weight	416.438
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	0.5
Synonyms	SR-01000073650-1 MCULE-5015598977 [(1-cyanocyclohexyl)(methyl)carbamoyl]methyl 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate SMR001246224 CHEMBL1376372 Z18551552 MLS002163842 [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate AKOS033631084 SR-01000073650 HMS3050G03 ZINC9666655 848311-45-5 MolPort-005-322-612 [ Show all ]
Inchi Key	CWNWSXYXSBWNQK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H24N6O5/c1-22-16-15(17(28)23(2)18(22)29)25(12-21-16)9-14(27)30-10-13(26)24(3)19(11-20)7-5-4-6-8-19/h12H,4-10H2,1-3H3
PubChem CID	4855374
ChEMBL	CHEMBL1376372
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
52253	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757
52252	Relaxin receptor 2	Q8WXD0	RXFP2	Homo sapiens (Human)	754
52251	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424

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