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

NameCHEMBL541208
Molecular formulaC17H25N3
IUPAC nameN-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylaniline
Molecular weight271.408
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.2
SynonymsZINC29466644
BDBM50027033
Cyclohexyl-(4,5-dihydro-1H-imidazol-2-ylmethyl)-p-tolyl-amine
Inchi KeyCVOPKMOKCNOSBQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H25N3/c1-14-7-9-16(10-8-14)20(13-17-18-11-12-19-17)15-5-3-2-4-6-15/h7-10,15H,2-6,11-13H2,1H3,(H,18,19)
PubChem CID13123533
ChEMBLCHEMBL541208
IUPHARN/A
BindingDB50027033
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
51662Alpha-2A adrenergic receptorQ28838ADRA2ABos taurus (Bovine)452

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