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

NameCHEMBL3702371
Molecular formulaC22H22N2O3
IUPAC name9-methoxy-2-(5-methoxy-2-methylphenyl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
Molecular weight362.429
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.2
SynonymsUS8853203, 18
BDBM135964
SCHEMBL15488609
Inchi KeyBIZATFGCHCLCSE-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H22N2O3/c1-14-7-8-15(26-2)11-18(14)19-12-20-16-5-4-6-21(27-3)17(16)9-10-24(20)22(25)13-23-19/h4-8,11-12H,9-10,13H2,1-3H3
PubChem CID73335132
ChEMBLCHEMBL3702371
IUPHARN/A
BindingDB135964
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
459427Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194
459426Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417