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

NameCHEMBL2407175
Molecular formulaC24H36N4O3
IUPAC nameethyl 4-[(2-oxo-1-propylspiro[3H-1,8-naphthyridine-4,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
Molecular weight428.577
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.7
SynonymsN/A
Inchi KeyAATNRUXRJQIOEV-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H36N4O3/c1-3-12-28-21(29)17-24(20-6-5-11-25-22(20)28)9-15-26(16-10-24)18-19-7-13-27(14-8-19)23(30)31-4-2/h5-6,11,19H,3-4,7-10,12-18H2,1-2H3
PubChem CID56952778
ChEMBLCHEMBL2407175
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
523Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
525Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
524Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590
526Muscarinic acetylcholine receptor M4P08173CHRM4Homo sapiens (Human)479
522Muscarinic acetylcholine receptor M5P08912CHRM5Homo sapiens (Human)532

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