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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	CHEMBL289426
Molecular formula	C23H27ClN2O3
IUPAC name	N-[(7R,7aR)-3-(cyclopropylmethyl)-9-hydroxy-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-2-chloroprop-2-enamide
Molecular weight	414.93
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.0
Synonyms	BDBM50287332 1N-[4-cyclopropylmethyl-10-hydroxy-(13R,14R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-yl]-2-chloroacrylamide
Inchi Key	UDQTWCPWUCXLPN-CUUMVBPWSA-N
Inchi ID	InChI=1S/C23H27ClN2O3/c1-12(24)22(28)25-16-6-5-15-17-10-14-4-7-18(27)20-19(14)23(15,21(16)29-20)8-9-26(17)11-13-2-3-13/h4,7,13,15-17,21,27H,1-3,5-6,8-11H2,(H,25,28)/t15?,16-,17?,21+,23?/m1/s1
PubChem CID	44286867
ChEMBL	CHEMBL289426
IUPHAR	N/A
BindingDB	50287332
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
334335	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
334337	Kappa-type opioid receptor	P41145	OPRK1	Homo sapiens (Human)	380
334336	Mu-type opioid receptor	P79350	OPRM1	Bos taurus (Bovine)	401

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