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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	ACT 335827
Molecular formula	C31H38N2O5
IUPAC name	(2R)-2-[(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenyl-N-propan-2-ylacetamide
Molecular weight	518.654
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.5
Synonyms	J3.535.087J ZINC96282665 (2R)-2-[(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenyl-N-propan-2-ylacetamide BDBM50438822 compound 9 [PMID: 23589487] MolPort-035-765-911 ACT-335827 (2R)-2-[(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-isopropyl-2-phenyl-acetamide GTPL9122 SCHEMBL198063 AKOS024458449 (aR,1S)-1-[(3,4-Dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-N-(1-methylethyl)-a-phenyl-2(1H)-isoquinolineacetamide CHEMBL2413367 [ Show all ]
Inchi Key	HXHOBPVRRPCTLG-SETSBSEESA-N
Inchi ID	InChI=1S/C31H38N2O5/c1-20(2)32-31(34)30(22-10-8-7-9-11-22)33-15-14-23-18-28(37-5)29(38-6)19-24(23)25(33)16-21-12-13-26(35-3)27(17-21)36-4/h7-13,17-20,25,30H,14-16H2,1-6H3,(H,32,34)/t25-,30+/m0/s1
PubChem CID	54765113
ChEMBL	CHEMBL2413367
IUPHAR	9122
BindingDB	50438822
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
126236	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
553923	Orexin receptor type 1	P56718	Hcrtr1	Rattus norvegicus (Rat)	416
126235	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444
553922	Orexin receptor type 2	P56719	Hcrtr2	Rattus norvegicus (Rat)	460

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