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

NameCHEMBL324057
Molecular formulaC20H28N4O2
IUPAC nameN-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
Molecular weight356.47
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.9
SynonymsBDBM50122873
3-Isopropyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide
Inchi KeyAJHCSFKCWMDCCD-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H28N4O2/c1-13(2)23-17-9-4-5-10-18(17)24(20(23)26)19(25)21-14-11-15-7-6-8-16(12-14)22(15)3/h4-5,9-10,13-16H,6-8,11-12H2,1-3H3,(H,21,25)
PubChem CID44343153
ChEMBLCHEMBL324057
IUPHARN/A
BindingDB50122873
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
69115-hydroxytryptamine receptor 4P97288Htr4Mus musculus (Mouse)388
69125-hydroxytryptamine receptor 4Q62758Htr4Rattus norvegicus (Rat)406

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