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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	CHEMBL516085
Molecular formula	C30H28N2O5
IUPAC name	[(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl] isoquinoline-3-carboxylate
Molecular weight	496.563
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.7
Synonyms	(1S,5R,13R,17S)-4-(cyclopropylmethyl)-10-hydroxy-14-oxo-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-17-yl isoquinoline-3-carboxylate BDBM50266886
Inchi Key	AKIHQQGZUGZPDK-BJXGRRSKSA-N
Inchi ID	InChI=1S/C30H28N2O5/c33-22-8-7-19-14-24-30(37-28(35)21-13-18-3-1-2-4-20(18)15-31-21)10-9-23(34)27-29(30,25(19)26(22)36-27)11-12-32(24)16-17-5-6-17/h1-4,7-8,13,15,17,24,27,33H,5-6,9-12,14,16H2/t24-,27+,29+,30-/m1/s1
PubChem CID	44582198
ChEMBL	CHEMBL516085
IUPHAR	N/A
BindingDB	50266886
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
7579	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
7580	Kappa-type opioid receptor	P41145	OPRK1	Homo sapiens (Human)	380
7578	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400

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