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

NameCHEMBL2022250
Molecular formulaC25H25NO3
IUPAC name2-[2-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]acetic acid
Molecular weight387.479
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.0
SynonymsBDBM50382531
Inchi KeyJLEQEHJFOVZXHU-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H25NO3/c1-16-5-3-6-17(2)25(16)20-8-4-7-18(13-20)15-29-23-12-10-21-19(14-24(27)28)9-11-22(21)26-23/h3-8,10,12-13,19H,9,11,14-15H2,1-2H3,(H,27,28)
PubChem CID57325678
ChEMBLCHEMBL2022250
IUPHARN/A
BindingDB50382531
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
153594Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300
153595Free fatty acid receptor 1Q8K3T4Ffar1Rattus norvegicus (Rat)300

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