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

NameCHEMBL413777
Molecular formulaC23H31NO2
IUPAC nameN-[(3-cyclopentylphenyl)methyl]-2-(2-propan-2-yloxyphenoxy)ethanamine
Molecular weight353.506
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.7
SynonymsN/A
Inchi KeyACEXCRCRDMOWEM-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H31NO2/c1-18(2)26-23-13-6-5-12-22(23)25-15-14-24-17-19-8-7-11-21(16-19)20-9-3-4-10-20/h5-8,11-13,16,18,20,24H,3-4,9-10,14-15,17H2,1-2H3
PubChem CID16109485
ChEMBLCHEMBL413777
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
14915-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
4417245-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
14905-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
1492D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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