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

NameCHEMBL143509
Molecular formulaC21H28N2O2
IUPAC name5,6-dimethoxy-N-propyl-N-(2-pyridin-3-ylethyl)-2,3-dihydro-1H-inden-2-amine
Molecular weight340.467
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.0
SynonymsBDBM50107872
(5,6-Dimethoxy-indan-2-yl)-propyl-(2-pyridin-3-yl-ethyl)-amine
Inchi KeyBGCJDPYLWUEEJR-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H28N2O2/c1-4-9-23(10-7-16-6-5-8-22-15-16)19-11-17-13-20(24-2)21(25-3)14-18(17)12-19/h5-6,8,13-15,19H,4,7,9-12H2,1-3H3
PubChem CID11046089
ChEMBLCHEMBL143509
IUPHARN/A
BindingDB50107872
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
22847D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
22848D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446

yangzhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218