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

NameCID 44417700
Molecular formulaC24H26ClNO4
IUPAC name[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[2-(2-methoxy-6-phenylphenoxy)ethyl]azanium;chloride
Molecular weight427.925
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogPNone
SynonymsN/A
Inchi KeyAFUDWLGGLABPSJ-FSRHSHDFSA-N
Inchi IDInChI=1S/C24H25NO4.ClH/c1-26-23-13-7-10-20(18-8-3-2-4-9-18)24(23)27-15-14-25-16-19-17-28-21-11-5-6-12-22(21)29-19;/h2-13,19,25H,14-17H2,1H3;1H/t19-;/m1./s1
PubChem CID44417700
ChEMBLCHEMBL214952
IUPHARN/A
BindingDB50002735
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
44975-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
4499Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
4498Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
4496Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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