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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	CHEMBL106189
Molecular formula	C30H29N3O6
IUPAC name	(E)-N-[(4aS,7aR)-3-(cyclopropylmethyl)-9-hydroxy-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	527.577
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.6
Synonyms	1N-[4-cyclopropylmethyl-10-hydroxy-13-methyl-14-oxo-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-17-yl]-4-(4-nitrophenyl)-(Z)-2-butenamide BDBM50033656
Inchi Key	SOMLNFVGFKTNRL-JHMKZUJTSA-N
Inchi ID	InChI=1S/C30H29N3O6/c1-28-24(35)12-13-30(31-25(36)11-6-18-4-8-21(9-5-18)33(37)38)23-16-20-7-10-22(34)27(39-28)26(20)29(28,30)14-15-32(23)17-19-2-3-19/h4-13,19,23,34H,2-3,14-17H2,1H3,(H,31,36)/b11-6+/t23?,28-,29?,30+/m0/s1
PubChem CID	44337164
ChEMBL	CHEMBL106189
IUPHAR	N/A
BindingDB	50033656
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
319294	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
319293	Kappa-type opioid receptor	P41145	OPRK1	Homo sapiens (Human)	380
319292	Mu-type opioid receptor	P79350	OPRM1	Bos taurus (Bovine)	401

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