Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

You can:

Ligand

Name8 beta-[(Methylthio)methyl]-6-propylergoline
Molecular formulaC20H30N2O3S2
IUPAC namemethanesulfonic acid;9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
Molecular weight410.591
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogPNone
SynonymsHMS3369N12
MCULE-6103242594
HMS3394H09
SAM001247070
AM20040974
[ Show all ]
Inchi KeyUWCVGPLTGZWHGS-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H26N2S.CH4O3S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21;1-5(2,3)4/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3;1H3,(H,2,3,4)
PubChem CID21871606
ChEMBLN/A
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 21
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
3471415-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
3471445-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
3471535-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
3471465-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
3471405-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
3471365-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
3471375-hydroxytryptamine receptor 7P50407HTR7Cavia porcellus (Guinea pig)446
347139Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
347149Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
347142Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
347147Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
347154Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
347156Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
347145Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
347155Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
347138D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
347143D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
347151D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
347152D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
347150D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417