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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	MLS001029173
Molecular formula	C24H31N7O3S
IUPAC name	N-[2-(4-sulfamoylphenyl)ethyl]-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-4-carboxamide
Molecular weight	497.618
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	1.9
Synonyms	HMS1870M04 BDBM79038 N-[2-(4-sulfamoylphenyl)ethyl]-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)-4-piperidinecarboxamide cid_16021547 NCGC00124537-01 HMS2958I22 N-[2-(4-sulfamoylphenyl)ethyl]-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-4-carboxamide E715-0518 SMR000629194 AKOS001926818 CHEMBL1319081 N-[2-(4-sulfamoylphenyl)ethyl]-1-(7,8,9,10-tetrahydro-6H-purin[9,8-a]azepin-4-yl)isonipecotamide [ Show all ]
Inchi Key	ALFMYIWPXBKBJK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H31N7O3S/c25-35(33,34)19-7-5-17(6-8-19)9-12-26-24(32)18-10-14-30(15-11-18)22-21-23(28-16-27-22)31-13-3-1-2-4-20(31)29-21/h5-8,16,18H,1-4,9-15H2,(H,26,32)(H2,25,33,34)
PubChem CID	16021547
ChEMBL	CHEMBL1319081
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
8228	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757
8229	Relaxin receptor 2	Q8WXD0	RXFP2	Homo sapiens (Human)	754
8227	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424

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