Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-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 WDL-RF ATPbind DockRMSD DeepMSA FASPR

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL3644417
Molecular formulaC20H22N4O2
IUPAC name9-(1-methoxyethyl)-2-(1-methylpyrazol-3-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
Molecular weight350.422
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP1.5
Synonyms9-(1-methoxyethyl)-2-(1-methyl-1H-pyrazol-3-yl)-7,8-dihydro-[1,4]diazepino[7,1-a]isoquinolin-5(4H)-one
AXDXFTQUQRRHCN-UHFFFAOYSA-N
BDBM136128
SCHEMBL15488212
US8853203, 47
Inchi KeyAXDXFTQUQRRHCN-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22N4O2/c1-13(26-3)14-5-4-6-16-15(14)7-10-24-19(16)11-18(21-12-20(24)25)17-8-9-23(2)22-17/h4-6,8-9,11,13H,7,10,12H2,1-3H3
PubChem CID89980374
ChEMBLCHEMBL3644417
IUPHARN/A
BindingDB136128
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
517410Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194
464934Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212

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