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

NameCHEMBL569760
Molecular formulaC23H32NO2+
IUPAC namecyclohexyl-[5-(1,1-dimethylpyrrolidin-1-ium-2-yl)furan-2-yl]-phenylmethanol
Molecular weight354.514
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.4
SynonymsCHEMBL1197392
BDBM50415152
Inchi KeyAVNRDCQRRUOTCC-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H32NO2/c1-24(2)17-9-14-20(24)21-15-16-22(26-21)23(25,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3,5-6,10-11,15-16,19-20,25H,4,7-9,12-14,17H2,1-2H3/q+1
PubChem CID44627746
ChEMBLN/A
IUPHARN/A
BindingDB50415152
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15447Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
15450Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
15448Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590
15451Muscarinic acetylcholine receptor M4P08173CHRM4Homo sapiens (Human)479
15449Muscarinic acetylcholine receptor M5P08912CHRM5Homo sapiens (Human)532

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