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

NameSCHEMBL17418796
Molecular formulaC28H32FN3O5
IUPAC name(3S)-3-cyclopropyl-3-[3-[[6-(2,2-dimethylpropoxy)-5-(5-fluoro-2-methoxypyridin-4-yl)pyrazin-2-yl]methoxy]phenyl]propanoic acid
Molecular weight509.578
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP5.0
Synonyms(3S)-3-Cyclopropyl-3-(3-((5-(5-fluoro-2-methoxypyridin-4-yl)-6-(neopentyloxy)pyrazin-2-yl)methoxy)phenyl)propanoic acid
MAFLOYYEUJDHPT-NRFANRHFSA-N
BDBM168196
US9688642, 47
Inchi KeyMAFLOYYEUJDHPT-NRFANRHFSA-N
Inchi IDInChI=1S/C28H32FN3O5/c1-28(2,3)16-37-27-26(22-11-24(35-4)30-14-23(22)29)31-13-19(32-27)15-36-20-7-5-6-18(10-20)21(12-25(33)34)17-8-9-17/h5-7,10-11,13-14,17,21H,8-9,12,15-16H2,1-4H3,(H,33,34)/t21-/m0/s1
PubChem CID118645574
ChEMBLN/A
IUPHARN/A
BindingDB168196
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
563612Free fatty acid receptor 1Q8K3T4Ffar1Rattus norvegicus (Rat)300
563613Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300

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