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

NameCHEMBL1202051
Molecular formulaC21H35N3O6
IUPAC name8-acetamido-N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)octanamide;oxalic acid
Molecular weight425.526
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeyHXNNQZXFSQHEPZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H33N3O2.C2H2O4/c1-18(23)20-13-7-5-3-4-6-12-19(24)21(2)14-8-9-15-22-16-10-11-17-22;3-1(4)2(5)6/h3-7,10-17H2,1-2H3,(H,20,23);(H,3,4)(H,5,6)
PubChem CID49859882
ChEMBLCHEMBL1202051
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
126437Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590
126436Muscarinic acetylcholine receptor M4P08485Chrm4Rattus norvegicus (Rat)478

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