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

NameCHEMBL141736
Molecular formulaC24H29N2O2+
IUPAC name(4aR,5aS,8aS,13aS,15aS,15bR)-6-propyl-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-ium-14-one
Molecular weight377.508
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP2.8
Synonyms19-Propyl-10-oxostrychnidine-19-ium
Inchi KeyABXGTNGUHIUIPP-HWHTXHROSA-N
Inchi IDInChI=1S/C24H29N2O2/c1-2-9-26-10-8-24-17-5-3-4-6-18(17)25-21(27)13-19-22(23(24)25)16(12-20(24)26)15(14-26)7-11-28-19/h3-7,16,19-20,22-23H,2,8-14H2,1H3/q+1/t16-,19-,20-,22-,23-,24+,26?/m0/s1
PubChem CID44358937
ChEMBLCHEMBL141736
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1277Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
1278Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
1279Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590
1276Muscarinic acetylcholine receptor M4P08173CHRM4Homo sapiens (Human)479

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