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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	Obelin
Molecular formula	C26H32N4O4
IUPAC name	[(3R,4aR,10aR)-6-methoxy-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
Molecular weight	464.566
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.6
Synonyms	GTPL2030 AC1NSKIL SRA880 CHEMBL251541 NVP-SRA880 BDBM50423297 ZINC28949859 D00MGT [(3R,4aR,10aR)-6-methoxy-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone [ Show all ]
Inchi Key	INULNSAIIZKOQE-YOSAUDMPSA-N
Inchi ID	InChI=1S/C26H32N4O4/c1-27-17-20(14-19-15-23-18(16-24(19)27)4-3-5-25(23)34-2)26(31)29-12-10-28(11-13-29)21-6-8-22(9-7-21)30(32)33/h3-9,19-20,24H,10-17H2,1-2H3/t19-,20-,24-/m1/s1
PubChem CID	5311377
ChEMBL	CHEMBL251541
IUPHAR	2030
BindingDB	50423297
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
137639	5-hydroxytryptamine receptor 1D	P28221	HTR1D	Homo sapiens (Human)	377
137638	Beta-1 adrenergic receptor	P08588	ADRB1	Homo sapiens (Human)	477
137641	D(4) dopamine receptor	P21917	DRD4	Homo sapiens (Human)	467
137635	Somatostatin receptor type 1	P30872	SSTR1	Homo sapiens (Human)	391
137636	Somatostatin receptor type 1	P28646	Sstr1	Rattus norvegicus (Rat)	391
137634	Somatostatin receptor type 2	P30874	SSTR2	Homo sapiens (Human)	369
137640	Somatostatin receptor type 2	P30680	Sstr2	Rattus norvegicus (Rat)	369
137633	Somatostatin receptor type 3	P32745	SSTR3	Homo sapiens (Human)	418
137637	Somatostatin receptor type 4	P31391	SSTR4	Homo sapiens (Human)	388
137642	Somatostatin receptor type 5	P35346	SSTR5	Homo sapiens (Human)	364

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