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

NameMLS003230991
Molecular formulaC23H15F3N2O
IUPAC name2-(furan-2-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[2,1-a]isoquinoline
Molecular weight392.381
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP6.6
Synonyms2-(2-furanyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[2,1-a]isoquinoline
CHEMBL2361231
2-(2-furyl)-3-[2-(trifluoromethyl)benzyl]imidaz[2,1-a]isoquinoline
SMR001913556
BDBM97187
[ Show all ]
Inchi KeyJGUBEXLRWYVZIG-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H15F3N2O/c24-23(25,26)18-9-4-2-7-16(18)14-19-21(20-10-5-13-29-20)27-22-17-8-3-1-6-15(17)11-12-28(19)22/h1-13H,14H2
PubChem CID51360001
ChEMBLCHEMBL2361231
IUPHARN/A
BindingDB97187
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
150640Galanin receptor type 3O60755GALR3Homo sapiens (Human)368

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