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GPCR

Name	5-hydroxytryptamine receptor 2B
Species	Rattus norvegicus (Rat)
Gene	Htr2b
Synonym	stomach fundus serotonin receptor serotonin receptor 2B 5-HT-2B 5-hydroxytryptamine (serotonin) receptor 2B, G protein-coupled 5-HT2F 5-HT2B receptor 5-HT2B 5-HT-2F {ECO:0000303\|PubMed:1331748} Stomach fundus serotonin receptor {ECO:0000303\|PubMed:1505525} [ Show all ]
Disease	N/A for non-human GPCRs
Length	479
Amino acid sequence	MASSYKMSEQSTISEHILQKTCDHLILTDRSGLKAESAAEEMKQTAENQGNTVHWAALLIFAVIIPTIGGNILVILAVSLEKRLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEATWPLPLALCPAWLFLDVLFSTASIMHLCAISLDRYIAIKKPIQANQCNSRTTAFVKITVVWLISIGIAIPVPIKGIEADVVNAHNITCELTKDRFGSFMLFGSLAAFFAPLTIMIVTYFLTIHALRKKAYLVRNRPPQRLTRWTVSTVLQREDSSFSSPEKMVMLDGSHKDKILPNSTDETLMRRMSSAGKKPAQTISNEQRASKVLGIVFLFFLLMWCPFFITNVTLALCDSCNQTTLKTLLQIFVWVGYVSSGVNPLIYTLFNKTFREAFGRYITCNYQATKSVKVLRKCSSTLYFGNSMVENSKFFTKHGIRNGINPAMYQSPVRLRSSTIQSSSIILLNTFLTENDGDKVEDQVSYI
UniProt	P30994
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL323
IUPHAR	7
DrugBank	N/A

Ligand

Name	methysergide
Molecular formula	C21H27N3O2
IUPAC name	(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
Molecular weight	353.466
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.3
Synonyms	(8beta)-N-[(1S)-1-(hydroxymethyl)propyl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide NCGC00024027-08 2016-33-3 Tox21_110895_1 9,10-Didehydro-N-(1-(hydroxymethyl)propyl)-1,6-dimethylergoline-8-carboxamide BRD-K35941380-001-01-7 Desernyl EINECS 206-644-0 HSDB 3237 Methysergide (USAN/INN) (6aR,9R)-4,7-dimethyl-N-[(2S)-1-oxidanylbutan-2-yl]-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid Metisergido [INN-Spanish] N-(alpha-(Hydroxymethyl)propyl)-1-methyl-dextro-lysergamide 1-Methyl-dextro-lysergic acid (+)-1-hydroxy-2-butylamide Sansert (TN) 361-37-5 UNII-XZA9HY6Z98 AC1L1TKV C07199 D02357 Dimethylergometrin Ergoline-8-carboxamide, 9,10-didehydro-N-(1-(hydroxymethyl)propyl)-1,6-dimethyl-, (8beta)- Lysergamide, N-(1-(hydroxymethyl)propyl)-1-methyl-, D- (4R,7R)-N-[(2S)-1-hydroxybutan-2-yl]-6,11-dimethyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide Methysergidum (6aR,9R)-N-[(1S)-1-(hydroxymethyl)propyl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide (6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid NCGC00024027-06 SMR000058483 Biomol-NT_000155 CCG-204945 Deseril (TN) DSSTox_RID_76968 H8J Methysergid (6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;maleate Metisergide [DCIT] MLS000069364 (methylsergide)4,7-Dimethyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (1-hydroxymethyl-propyl)-amide NCGC00024027-09 29987-97-1 UML 491 AB00513725-14 BRD-K35941380-050-17-0 CHEMBL1065 Deseryl Ergoline-8-beta-carboxamide, 9,10-didehydro-N-(1-(hydroxymethyl)propyl)-1,6-dimethyl- Lopac0_000863 (+)-9,10-Didehydro-N-(1-(hydroxymethyl)propyl)-1,6-dimethylergoline-8beta-carboxamide Methysergide dimaleate (6aR,9R)-4-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (1-hydroxymethyl-propyl)-amide NCGC00024027-04 1-Methyllysergic acid butanolamide SBI-0050838.P002 4,7-Dimethyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (1-hydroxymethyl-propyl)-amide XZA9HY6Z98 BDBM30708 C21H27N3O2 D0O6GC DSSTox_CID_3307 Ergoline-8beta-carboxamide, 9,10-didehydro-N-(1-(hydroxymethyl)propyl)-1,6-dimethyl- Methyllysergic acid butanolamide (6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (1-hydroxymethyl-propyl)-amide Methysergidum [INN-Latin] (6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide (8alpha)-N-[(2S)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide NCGC00024027-07 156558-44-0 Tox21_110895 746-51-0 BPBio1_000486 CHEBI:92629 Desernil DTXSID2023307 HMS2090P04 (6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;maleic acid Metisergido N-(1-(Hydroxymethyl)propyl)-1-methyl-dextro-(+)-lysergamide 1-Methyl-D-lysergic acid butanolamide Sansert UML-491 AB00513725_15 BRN 0765985 cid_5281073 Desril Ergoline-8-carboxamide, 9,10-didehydro-N-(1-(hydroxymethyl)propyl)-1,6-dimethyl-, (8beta(S))- LS-64361 (+)-N-(1-(Hydroxymethyl)propyl)-1-methyl-D-lysergamide Methysergide [USAN:INN:BAN] (6aR,9R)-5,7-Dimethyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid diethylamide (6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;(Z)-2-butenedioic acid NCGC00024027-05 1-Methylmethylergonovine SCHEMBL41843 47478-64-8 ZINC53151228 BDBM50031942 CAS-361-37-5 Deseril DSSTox_GSID_23307 GTPL134 Methylmethylergonovine (6aR,9R)-4,7-Dimethyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid ((S)-1-hydroxymethyl-propyl)-amide Metisergide [ Show all ]
Inchi Key	KPJZHOPZRAFDTN-ZRGWGRIASA-N
Inchi ID	InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
PubChem CID	9681
ChEMBL	CHEMBL1065
IUPHAR	134
BindingDB	50031942, 30708
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	6.28 nM	PMID8632342	BindingDB
Ki	6.3 nM	PMID7984267, PMID7582481	BindingDB
Ki	6.30957 nM	PMID8450835	IUPHAR
Ki	6.31 nM	PMID10821800	BindingDB
Ki	87.09 nM	PMID7984267	BindingDB

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