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

NameCHEMBL3287721
Molecular formulaC22H25FO6
IUPAC name5-[4-(4-butanoyl-3-hydroxy-2-methylphenoxy)butoxy]-2-fluorobenzoic acid
Molecular weight404.434
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.0
SynonymsBDBM50017267
SCHEMBL17176254
Inchi KeyDTKQPIBBUQRAQX-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25FO6/c1-3-6-19(24)16-8-10-20(14(2)21(16)25)29-12-5-4-11-28-15-7-9-18(23)17(13-15)22(26)27/h7-10,13,25H,3-6,11-12H2,1-2H3,(H,26,27)
PubChem CID90643886
ChEMBLCHEMBL3287721
IUPHARN/A
BindingDB50017267
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
68413Metabotropic glutamate receptor 2P31421Grm2Rattus norvegicus (Rat)872
559443Metabotropic glutamate receptor 2Q14416GRM2Homo sapiens (Human)872
68414Metabotropic glutamate receptor 3P31422Grm3Rattus norvegicus (Rat)879

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