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 ●DMFold ●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

NameMLS003178907
Molecular formulaC29H31ClN2O5S
IUPAC name(3aS,5aR,6R,8aR,8bR)-6-(4-chlorophenyl)-2-cyclohexyl-7-(2-methylphenyl)sulfonyl-4,5a,6,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-e]isoindole-1,3,5-trione
Molecular weight555.086
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.9
SynonymsSMR001882702
CHEMBL1866960
Inchi KeyAAFFNDJZZCYJIG-PBSZENBHSA-N
Inchi IDInChI=1S/C29H31ClN2O5S/c1-17-7-5-6-10-24(17)38(36,37)31-16-22-25-21(28(34)32(29(25)35)20-8-3-2-4-9-20)15-23(33)26(22)27(31)18-11-13-19(30)14-12-18/h5-7,10-14,20-22,25-27H,2-4,8-9,15-16H2,1H3/t21-,22-,25-,26-,27-/m0/s1
PubChem CID51359242
ChEMBLCHEMBL1866960
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
162Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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