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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	Dihydroergokryptine
Molecular formula	C32H43N5O5
IUPAC name	N-[2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-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	577.726
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	3.1
Synonyms	MolPort-005-309-694 AC1LAX5A Dihydroergocryptine N~9~-(10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxooctahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide L001212 STK665862 N-[2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxamide AKOS005536108 PBUNVLRHZGSROC-UHFFFAOYSA-N 12'-hydroxy-5'-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)-9,10-dihydroergotaman MCULE-6654152934 NCGC00183332-01 D0UI3L GTPL282 ST097526 12'-Hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxo-9,10-dihydroergotaman # [ Show all ]
Inchi Key	PBUNVLRHZGSROC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C32H43N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38)
PubChem CID	522609
ChEMBL	N/A
IUPHAR	282
BindingDB	81453
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
554549	5-hydroxytryptamine receptor 2B	P41595	HTR2B	Homo sapiens (Human)	481
554547	5-hydroxytryptamine receptor 7	P32304	Htr7	Mus musculus (Mouse)	448
554548	5-hydroxytryptamine receptor 7	P32305	Htr7	Rattus norvegicus (Rat)	448
556458	Alpha-1A adrenergic receptor	P43140	Adra1a	Rattus norvegicus (Rat)	466

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