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

NameCHEMBL3701927
Molecular formulaC17H21N3O2
IUPAC nameN-[(6-methoxypyridin-2-yl)methyl]-4-[(2S)-morpholin-2-yl]aniline
Molecular weight299.374
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP1.7
SynonymsSCHEMBL12609702
US8802673, 28
BDBM129386
Inchi KeyHAXZLYPMPDNFIJ-MRXNPFEDSA-N
Inchi IDInChI=1S/C17H21N3O2/c1-21-17-4-2-3-15(20-17)11-19-14-7-5-13(6-8-14)16-12-18-9-10-22-16/h2-8,16,18-19H,9-12H2,1H3/t16-/m1/s1
PubChem CID68325487
ChEMBLCHEMBL3701927
IUPHARN/A
BindingDB129386
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
110239Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332
110238Trace amine-associated receptor 7bQ923X8Taar7bRattus norvegicus (Rat)358

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