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 DMFold 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

NameCHEMBL38041
Molecular formulaC20H27N3O2
IUPAC name1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-propan-2-ylbenzimidazol-2-one
Molecular weight341.455
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP2.8
SynonymsBDBM50005834
1-Isopropyl-3-[2-(8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-acetyl]-1,3-dihydro-benzoimidazol-2-one
Inchi KeyDKNCSSURJOYOSO-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H27N3O2/c1-13(2)22-17-6-4-5-7-18(17)23(20(22)25)19(24)12-14-10-15-8-9-16(11-14)21(15)3/h4-7,13-16H,8-12H2,1-3H3
PubChem CID44283512
ChEMBLCHEMBL38041
IUPHARN/A
BindingDB50005834
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
624555-hydroxytryptamine receptor 4Q62758Htr4Rattus norvegicus (Rat)406
62456Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
62454D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
62457D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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