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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	Dihydroegotamine
Molecular formula	C33H37N5O5
IUPAC name	N-(7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular weight	583.689
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	2.4
Synonyms	118268-EP2275420A1 AKOS015962151 Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'.alpha.,10.alpha.)- 118268-EP2298765A1 CAS_3066 LUZRJRNZXALNLM-UHFFFAOYSA-N 9,10-Dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione DHE 45 SCHEMBL10123876 118268-EP2280008A2 BDBM86235 Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'.alpha.,10.alpha.)-, monomethanesulfonate 5'-Benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman # CHEBI:91758 MCULE-5335473482 AC1L1F3K 118268-EP2298764A1 BRD-A54845972-066-01-5 L000730 CHEMBL3561903 NSC_3066 [ Show all ]
Inchi Key	LUZRJRNZXALNLM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)
PubChem CID	3066
ChEMBL	N/A
IUPHAR	N/A
BindingDB	86235
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
197107	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
197103	5-hydroxytryptamine receptor 1B	P28222	HTR1B	Homo sapiens (Human)	390
197112	5-hydroxytryptamine receptor 1B	O08892	HTR1B	Cavia porcellus (Guinea pig)	389
197111	5-hydroxytryptamine receptor 1D	P28221	HTR1D	Homo sapiens (Human)	377
197104	5-hydroxytryptamine receptor 2B	P41595	HTR2B	Homo sapiens (Human)	481
197106	5-hydroxytryptamine receptor 6	P50406	HTR6	Homo sapiens (Human)	440
197105	5-hydroxytryptamine receptor 7	P34969	HTR7	Homo sapiens (Human)	479
197108	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446
197109	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
197110	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400

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