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 DMFold 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

NameCHEMBL93594
Molecular formulaC15H23NO3S
IUPAC name[3-[(3S)-1-propylpiperidin-3-yl]phenyl] methanesulfonate
Molecular weight297.413
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP2.9
SynonymsSCHEMBL7352788
BDBM50039747
Methanesulfonic acid 3-((S)-1-propyl-piperidin-3-yl)-phenyl ester
ZINC13738259
Methanesulfonic acid 3-[(3S)-1-propylpiperidin-3alpha-yl]phenyl ester
Inchi KeyAHSLTJCTFBJCMT-CQSZACIVSA-N
Inchi IDInChI=1S/C15H23NO3S/c1-3-9-16-10-5-7-14(12-16)13-6-4-8-15(11-13)19-20(2,17)18/h4,6,8,11,14H,3,5,7,9-10,12H2,1-2H3/t14-/m1/s1
PubChem CID10402381
ChEMBLCHEMBL93594
IUPHARN/A
BindingDB50039747
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
58505-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
5848D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
5849D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
5847D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400

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