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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	CHEMBL131269
Molecular formula	C30H39N3O3S
IUPAC name	N-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]-2-pyridin-4-ylacetamide
Molecular weight	521.72
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.6
Synonyms	BDBM50043104 1N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4''-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2-(4-pyridyl)acetamide
Inchi Key	DMLVYVRRSAAXED-MQRABVPWSA-N
Inchi ID	InChI=1S/C30H39N3O3S/c1-28(2)24-8-12-30(28,26(20-24)32-27(34)19-22-9-15-31-16-10-22)21-37(35,36)33-17-13-29(14-18-33)11-7-23-5-3-4-6-25(23)29/h3-6,9-10,15-16,24,26H,7-8,11-14,17-21H2,1-2H3,(H,32,34)/t24-,26+,30-/m1/s1
PubChem CID	10436744
ChEMBL	CHEMBL131269
IUPHAR	N/A
BindingDB	50043104
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
63820	Oxytocin receptor	P70536	Oxtr	Rattus norvegicus (Rat)	388
63821	Vasopressin V2 receptor	Q00788	Avpr2	Rattus norvegicus (Rat)	371

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