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

NameCHEMBL3634415
Molecular formulaC21H16N2O4
IUPAC name3-methyl-N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]furan-2-carboxamide
Molecular weight360.369
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50132789
Inchi KeyAOHAYPVSFSBLRJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H16N2O4/c1-12-4-3-5-16-17(12)21(26)23(20(16)25)15-8-6-14(7-9-15)22-19(24)18-13(2)10-11-27-18/h3-11H,1-2H3,(H,22,24)
PubChem CID122196092
ChEMBLCHEMBL3634415
IUPHARN/A
BindingDB50132789
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
464128Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194
464129Metabotropic glutamate receptor 4Q14833GRM4Homo sapiens (Human)912

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