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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	CHEMBL611136
Molecular formula	C29H29N3O6
IUPAC name	(E)-N-[(4R,4aS,7aR,12bR)-3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-3-(4-nitrophenyl)prop-2-enamide
Molecular weight	515.566
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.8
Synonyms	3-Hydroxy-14-[(p-nitrocinnamoyl)amino]-17-(cyclopropylmethyl)-4,5alpha-epoxymorphinan-6-one 1N-[4-cyclopropylmethyl-10-hydroxy-14-oxo-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-17-yl]-4-(4-nitrophenyl)-(Z)-2-butenamide BDBM50033641
Inchi Key	USUATCCCIDHRPH-DNIKMYEQSA-N
Inchi ID	InChI=1S/C29H29N3O6/c33-21-9-6-19-15-23-29(30-24(35)10-5-17-3-7-20(8-4-17)32(36)37)12-11-22(34)27-28(29,25(19)26(21)38-27)13-14-31(23)16-18-1-2-18/h3-10,18,23,27,33H,1-2,11-16H2,(H,30,35)/b10-5+/t23-,27+,28+,29-/m1/s1
PubChem CID	11849365
ChEMBL	CHEMBL611136
IUPHAR	N/A
BindingDB	50033641
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
344679	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
344681	Kappa-type opioid receptor	P41145	OPRK1	Homo sapiens (Human)	380
344680	Mu-type opioid receptor	P79350	OPRM1	Bos taurus (Bovine)	401

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