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

NameCHEMBL214986
Molecular formulaC19H24ClNO5
IUPAC nameN-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2,6-dimethoxyphenoxy)ethanamine;hydrochloride
Molecular weight381.853
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogPNone
SynonymsB6515
Inchi KeyKAHMEWANVDFFCQ-PFEQFJNWSA-N
Inchi IDInChI=1S/C19H23NO5.ClH/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14;/h3-9,14,20H,10-13H2,1-2H3;1H/t14-;/m1./s1
PubChem CID49797185
ChEMBLCHEMBL214986
IUPHARN/A
BindingDBN/A
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: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1643185-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
164316Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
164317Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
164315Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
164320Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
164319Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
448162Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
164321Alpha-2A adrenergic receptorP22909Adra2aRattus norvegicus (Rat)450

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