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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	CHEMBL131388
Molecular formula	C29H43N3O6S2
IUPAC name	2-amino-N-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-4-methylsulfonylbutanamide
Molecular weight	593.798
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	2.0
Synonyms	BDBM50043151 1N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4''-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-ylmethyl]-2-amino-4-methylsulfonylbutanamide
Inchi Key	FEPUOBDPUNRMJO-MFCSNTOFSA-N
Inchi ID	InChI=1S/C29H43N3O6S2/c1-26(2)22-9-12-28(26,29(34,18-22)19-31-25(33)24(30)10-17-39(3,35)36)20-40(37,38)32-15-13-27(14-16-32)11-8-21-6-4-5-7-23(21)27/h4-8,11,22,24,34H,9-10,12-20,30H2,1-3H3,(H,31,33)/t22-,24?,28+,29+/m1/s1
PubChem CID	44352371
ChEMBL	CHEMBL131388
IUPHAR	N/A
BindingDB	50043151
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
76519	Oxytocin receptor	P70536	Oxtr	Rattus norvegicus (Rat)	388
76520	Vasopressin V2 receptor	Q00788	Avpr2	Rattus norvegicus (Rat)	371

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