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

NameCHEMBL347132
Molecular formulaC25H32N2O2
IUPAC name1-cyclobutyl-1-hydroxy-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-1-phenylpropan-2-one
Molecular weight392.543
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.8
SynonymsN/A
Inchi KeyAEMMCUXFNWMHGP-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H32N2O2/c1-20-8-5-6-9-21(20)18-26-14-16-27(17-15-26)19-24(28)25(29,23-12-7-13-23)22-10-3-2-4-11-22/h2-6,8-11,23,29H,7,12-19H2,1H3
PubChem CID10023442
ChEMBLCHEMBL347132
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3639Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
3640Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466

yangzhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218