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

NameCHEMBL142688
Molecular formulaC19H27NO2
IUPAC nameN,N-bis(cyclopropylmethyl)-5,6-dimethoxy-2,3-dihydro-1H-inden-2-amine
Molecular weight301.43
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.8
SynonymsZINC13471391
Inchi KeyDCIBMFFSEUHHNB-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H27NO2/c1-21-18-9-15-7-17(8-16(15)10-19(18)22-2)20(11-13-3-4-13)12-14-5-6-14/h9-10,13-14,17H,3-8,11-12H2,1-2H3
PubChem CID11023020
ChEMBLCHEMBL142688
IUPHARN/A
BindingDBN/A
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
56368D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
443932D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446

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