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

NameCHEMBL1683923
Molecular formulaC23H31N3O2
IUPAC name[1-(5-aminopentyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
Molecular weight381.52
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.1
SynonymsBDBM50337868
1-(5-aminopentyl)piperidin-4-yl biphenyl-2-ylcarbamate
Inchi KeyAANNUKSOCVVCRY-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H31N3O2/c24-15-7-2-8-16-26-17-13-20(14-18-26)28-23(27)25-22-12-6-5-11-21(22)19-9-3-1-4-10-19/h1,3-6,9-12,20H,2,7-8,13-18,24H2,(H,25,27)
PubChem CID53326849
ChEMBLCHEMBL1683923
IUPHARN/A
BindingDB50337868
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
359Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590

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