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

NameCHEMBL3361316
Molecular formulaC24H19ClN2O3
IUPAC name9b-(4-chlorophenyl)-1-(3-methoxybenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
Molecular weight418.877
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.1
Synonyms2M-546S
BDBM50042348
9b-(4-chlorophenyl)-1-(3-methoxybenzoyl)-1,2,3,9b-tetrahydro-5H-imidazo[2,1-a]isoindol-5-one
KS-000034CJ
AC1MX5CU
[ Show all ]
Inchi KeyAXWICKMMFGIVMS-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H19ClN2O3/c1-30-19-6-4-5-16(15-19)22(28)26-13-14-27-23(29)20-7-2-3-8-21(20)24(26,27)17-9-11-18(25)12-10-17/h2-12,15H,13-14H2,1H3
PubChem CID3810205
ChEMBLCHEMBL3361316
IUPHARN/A
BindingDB50042348
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
442338Muscarinic acetylcholine receptor M5P08912CHRM5Homo sapiens (Human)532

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