Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX 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 NeBcon WDL-RF ATPbind DockRMSD

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

You can:

Ligand

NameCHEMBL3410212
Molecular formulaC17H11N3O
IUPAC name3-(2-pyridin-3-ylethynyl)-4H-imidazo[5,1-c][1,4]benzoxazine
Molecular weight273.295
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP2.2
SynonymsBDBM50071327
Inchi KeyAEPFXRGRJZMVIF-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H11N3O/c1-2-6-17-15(5-1)20-12-19-14(16(20)11-21-17)8-7-13-4-3-9-18-10-13/h1-6,9-10,12H,11H2
PubChem CID118732216
ChEMBLCHEMBL3410212
IUPHARN/A
BindingDB50071327
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
441856Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212

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