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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	BDBM50043061
Molecular formula	C31H39N3O5S
IUPAC name	N-[2-[(1S,2S,4R)-2-hydroxy-7,7-dimethyl-1-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
Molecular weight	565.729
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	3.7
Synonyms	5N-{2-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4''-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]ethyl}-2-oxo-2,3-dihydro-5-pyridinecarboxamide
Inchi Key	BLAVMBRSJZQEHW-XGJRVREISA-N
Inchi ID	InChI=1S/C31H39N3O5S/c1-28(2)24-10-12-30(28,31(37,19-24)13-16-32-27(36)23-7-8-26(35)33-20-23)21-40(38,39)34-17-14-29(15-18-34)11-9-22-5-3-4-6-25(22)29/h3-9,11,20,24,37H,10,12-19,21H2,1-2H3,(H,32,36)(H,33,35)/t24-,30+,31-/m1/s1
PubChem CID	91929285
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50043061
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
26351	Oxytocin receptor	P70536	Oxtr	Rattus norvegicus (Rat)	388
26352	Vasopressin V2 receptor	Q00788	Avpr2	Rattus norvegicus (Rat)	371

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