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

NameCHEMBL158623
Molecular formulaC17H23NO
IUPAC name(1R,2R)-8-methoxy-N,1-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine
Molecular weight257.377
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.7
Synonyms(trans)-Allyl-(1-allyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-amine
SCHEMBL8672354
BDBM50046588
N,1beta-Diallyl-8-methoxy-2alpha-tetralinamine
Inchi KeyAHJAFUBWGNVAPG-LSDHHAIUSA-N
Inchi IDInChI=1S/C17H23NO/c1-4-7-14-15(18-12-5-2)11-10-13-8-6-9-16(19-3)17(13)14/h4-6,8-9,14-15,18H,1-2,7,10-12H2,3H3/t14-,15+/m0/s1
PubChem CID10061032
ChEMBLCHEMBL158623
IUPHARN/A
BindingDB50046588
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
55995-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422

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