Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

Namemethysergide
Molecular formulaC21H27N3O2
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 weight353.466
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.3
SynonymsSansert
Deseril
Methysergid
Desernil
Deseryl
[ Show all ]
Inchi KeyKPJZHOPZRAFDTN-ZRGWGRIASA-N
Inchi IDInChI=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 CID9681
ChEMBLCHEMBL1065
IUPHAR134
BindingDB30708, 50031942
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 41
Page:  / 3 

GLASS IDNameUniProtGeneSpeciesLength
1748775-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
1748785-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1748715-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
1748735-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
1748745-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
1748905-hydroxytryptamine receptor 1DP11614HTR1DCanis lupus familiaris (Dog)377
1748625-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
1748725-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366
1748925-hydroxytryptamine receptor 1FQ02284Htr1fMus musculus (Mouse)366
1748935-hydroxytryptamine receptor 1FP30940Htr1fRattus norvegicus (Rat)366
1748795-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
1748845-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
1748635-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
1748815-hydroxytryptamine receptor 2BP30994Htr2bRattus norvegicus (Rat)479
5561685-hydroxytryptamine receptor 2BQ02152Htr2bMus musculus (Mouse)479
1748695-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
1748865-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
1748655-hydroxytryptamine receptor 5AP30966Htr5aMus musculus (Mouse)357
1748855-hydroxytryptamine receptor 5AP35364Htr5aRattus norvegicus (Rat)357
5541635-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357

yangzhanglabumich.edu | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218