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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	Naltrexone analogue
Molecular formula	C24H27NO5
IUPAC name	(12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-3'-methylidenespiro[2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,5'-oxolane]-2'-one
Molecular weight	409.482
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	0.7
Synonyms	4,5alpha-Epoxy-3,6alpha, 14-trihydroxy-6beta-(2-carboxyallyl)-17-(cyclopropylmethyl) morphinnan gama-lactone 4,5alpha-Epoxy-3,6alpha, 14-trihydroxy-6beta-(2-carboxyallyl)-17-methylmorphinnan gama-lactone BDBM50013386 4-cyclopropylmethyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-14-yl lactone
Inchi Key	NSWUMSODAMAGRB-XGIRQVKWSA-N
Inchi ID	InChI=1S/C24H27NO5/c1-13-11-22(30-20(13)27)6-7-24(28)17-10-15-4-5-16(26)19-18(15)23(24,21(22)29-19)8-9-25(17)12-14-2-3-14/h4-5,14,17,21,26,28H,1-3,6-12H2/t17?,21?,22?,23-,24?/m0/s1
PubChem CID	44292859
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50013386
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
231204	Mu-type opioid receptor	P79350	OPRM1	Bos taurus (Bovine)	401

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