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

NameCHEMBL160354
Molecular formulaC30H38N2O6
IUPAC name[(6aR,9R)-7-methyl-4-propan-2-yl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl cyclohexanecarboxylate;(Z)-but-2-enedioic acid
Molecular weight522.642
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogPNone
SynonymsN/A
Inchi KeyAEPOKJXPUGAPME-MJWGMBJQSA-N
Inchi IDInChI=1S/C26H34N2O2.C4H4O4/c1-17(2)28-15-20-13-24-22(21-10-7-11-23(28)25(20)21)12-18(14-27(24)3)16-30-26(29)19-8-5-4-6-9-19;5-3(6)1-2-4(7)8/h7,10-12,15,17-19,24H,4-6,8-9,13-14,16H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t18-,24-;/m1./s1
PubChem CID44373482
ChEMBLCHEMBL160354
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
37235-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471

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