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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	methylergonovine
Molecular formula	C20H25N3O2
IUPAC name	(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular weight	339.439
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	2.3
Synonyms	NINDS_000357 BRD-K34685430-050-04-2 Spectrum2_000613 ZINC95619105 DB00353 Ergoline-8-carboxamide, 9,10-didehydro-N-(1-(hydroxymethyl)propyl)-6-methyl-, (8beta(S))- KBio1_000357 Lysergamide, N-((S)-1-(hydroxymethyl)propyl)- Methylergobasin (6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide Methylergometrinum 29589-73-9 N-(alpha-(Hydroxymethyl)propyl)-D-lysergamide AC1L1QJP BDBM50330860 Ryegonovin BSPBio_002023 Spectrum_000263 D-Lysergic acid-(+)-butanolamide-(2) DSSTox_GSID_23283 Ergotyl (TN) KBio2_005879 Metenarin Methylergometrin 113-42-8 78207-86-0 NCGC00017258-05 NCGC00024646-02 BPBio1_000581 Spametrin-M CCG-204878 UNII-W53L6FE61V D08207 EINECS 204-027-0 HSDB 3364 Lopac0_000794 Methergine Methylergometrine maleate 191038-EP2280008A2 Metilergometrinio AB00053497_03 Partergin BRD-K34685430-050-06-7 Spectrum3_000502 CHEMBL1201356 DivK1c_000357 Ergometrine, methyl- KBio2_000743 Lysergic acid butanolamide Methylergobasine (8beta)-N-[(1S)-1-(hydroxymethyl)propyl]-6-methyl-9,10-didehydroergoline-8-carboxamide Methylergometrinum [INN-Latin] 479-03-8 NCGC00017258-03 API0006820 Biomol-NT_000154 SBI-0050771.P004 C20H25N3O2 Tox21_110809 D-Lysergic acid-dl-hydroxybutylamide-2 DSSTox_RID_76957 GTPL150 KBio3_001523 Methergen Methylergometrine Metilergometrina 9,10-Didehydro-N-(1-(hydroxymethyl)propyl)-6-methylergoline-8-carboxamide NCGC00017258-06 NCGC00024646-03 BRD-K34685430-001-01-1 SPBio_000546 CHEBI:92607 W53L6FE61V Ergoline-8-beta-carboxamide, 9,10-didehydro-N-((S)-1-(hydroxymethyl)propyl)-6-methyl- IDI1_000357 LS-64363 Methergine (TN) (4R,7R)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0;{2,7}.0;{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide Methylergometrine [INN:BAN] 29477-86-9 Metilergometrinio [INN-Spanish] AB00514664 Prestwick3_000374 BSPBio_000527 Spectrum5_001879 D-lysergic acid 1-butanolamide DSSTox_CID_3283 Ergotyl KBio2_003311 ME 277 Methylergobrevin (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide Methylergonovin NCGC00017258-04 Basofortina BPBio1_000442 SCHEMBL78176 CAS-113-42-8 Tox21_110809_1 D05AHE DTXSID1023283 H8D KBioSS_000743 Methergin Methylergometrine (INN) 191038-EP2275420A1 Metilergometrina [DCIT] 9,10-Didehydro-N-(alpha-(hydroxymethyl)propyl)-6-methyl-ergoline-8-beta-carboxamide NCGC00017258-08 [ Show all ]
Inchi Key	UNBRKDKAWYKMIV-QWQRMKEZSA-N
Inchi ID	InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14+,18-/m1/s1
PubChem CID	8226
ChEMBL	CHEMBL1201356
IUPHAR	150
BindingDB	50330860
DrugBank	DB00353
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
340740	5-hydroxytryptamine receptor 1A	P19327	Htr1a	Rattus norvegicus (Rat)	422
340734	5-hydroxytryptamine receptor 1B	P28564	Htr1b	Rattus norvegicus (Rat)	386
340736	5-hydroxytryptamine receptor 1E	P28566	HTR1E	Homo sapiens (Human)	365
340735	5-hydroxytryptamine receptor 1F	P30939	HTR1F	Homo sapiens (Human)	366
340731	5-hydroxytryptamine receptor 2A	P28223	HTR2A	Homo sapiens (Human)	471
554973	5-hydroxytryptamine receptor 2A	P14842	Htr2a	Rattus norvegicus (Rat)	471
340729	5-hydroxytryptamine receptor 2B	P41595	HTR2B	Homo sapiens (Human)	481
340733	5-hydroxytryptamine receptor 2C	P08909	Htr2c	Rattus norvegicus (Rat)	460
340738	5-hydroxytryptamine receptor 2C	P28335	HTR2C	Homo sapiens (Human)	458
340739	5-hydroxytryptamine receptor 6	P50406	HTR6	Homo sapiens (Human)	440
556877	5-hydroxytryptamine receptor 7	P50407	HTR7	Cavia porcellus (Guinea pig)	446
340741	Alpha-2A adrenergic receptor	P08913	ADRA2A	Homo sapiens (Human)	450
340732	Alpha-2B adrenergic receptor	P18089	ADRA2B	Homo sapiens (Human)	450
340730	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446
340737	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
340743	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400

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