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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	akuammigine
Molecular formula	C21H24N2O3
IUPAC name	methyl (1R,15S,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
Molecular weight	352.434
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.7
Synonyms	642-17-1 UNII-1E21YYE0UM AKOS032948886 methyl (3beta,19alpha,20alpha)-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate 4H-Indolo(2,3-a)pyrano(3,4-g)quinolizine-1-carboxylic acid, 4a,5,7,8,13,13b,14,14a-octahydro-4-methyl-, methyl ester, (4S,4aS,13bR,14aS)- C21H24N2O3 PDSP1_001665 9078AF CHEMBL122404 ZINC53174616 (7aS,8S,11aS,12aR)-8-Methyl-5,6,7a,8,11a,12,12a,13-octahydro-7H-9-oxa-6a,13-diaza-indeno[2,1-a]anthracene-11-carboxylic acid methyl ester MolPort-039-052-713 CHEBI:141878 SCHEMBL563799 AC1LOQX5 D03DMN 1E21YYE0UM BDBM50030622 Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (3beta,19alpha,20alpha)- [ Show all ]
Inchi Key	GRTOGORTSDXSFK-BMYCAMMWSA-N
Inchi ID	InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16-,19+/m0/s1
PubChem CID	1268096
ChEMBL	CHEMBL122404
IUPHAR	N/A
BindingDB	50030622
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
103735	Alpha-2A adrenergic receptor	P08913	ADRA2A	Homo sapiens (Human)	450
103739	Alpha-2A adrenergic receptor	P22909	Adra2a	Rattus norvegicus (Rat)	450
460151	Alpha-2A adrenergic receptor	Q28838	ADRA2A	Bos taurus (Bovine)	452
103734	Alpha-2B adrenergic receptor	P19328	Adra2b	Rattus norvegicus (Rat)	453
103738	Alpha-2B adrenergic receptor	P18089	ADRA2B	Homo sapiens (Human)	450
103737	Alpha-2C adrenergic receptor	P18825	ADRA2C	Homo sapiens (Human)	462

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