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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	CHEMBL413258
Molecular formula	C31H31N3O6
IUPAC name	(E)-N-[(4aS,7aR)-3-(cyclopropylmethyl)-9-methoxy-7a-methyl-7-oxo-1,2,4,13-tetrahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-3-(4-nitrophenyl)prop-2-enamide
Molecular weight	541.604
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.0
Synonyms	BDBM50033650
Inchi Key	AKKJUDSRXGKWBT-BLGOHELNSA-N
Inchi ID	InChI=1S/C31H31N3O6/c1-29-25(35)13-14-31(32-26(36)12-7-19-5-9-22(10-6-19)34(37)38)24-17-21-8-11-23(39-2)28(40-29)27(21)30(29,31)15-16-33(24)18-20-3-4-20/h5-14,20,24H,3-4,15-18H2,1-2H3,(H,32,36)/b12-7+/t24?,29-,30?,31+/m0/s1
PubChem CID	44337243
ChEMBL	CHEMBL413258
IUPHAR	N/A
BindingDB	50033650
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
7626	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
7627	Kappa-type opioid receptor	P41145	OPRK1	Homo sapiens (Human)	380
7628	Mu-type opioid receptor	P79350	OPRM1	Bos taurus (Bovine)	401

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