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

NameCHEMBL514894
Molecular formulaC23H25N3O3
IUPAC name5-[4-[2-[pyridin-2-yl(pyridin-3-yl)amino]ethoxy]phenyl]pentanoic acid
Molecular weight391.471
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.1
SynonymsN/A
Inchi KeyHEHSOBHKNYLCNM-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H25N3O3/c27-23(28)9-2-1-6-19-10-12-21(13-11-19)29-17-16-26(20-7-5-14-24-18-20)22-8-3-4-15-25-22/h3-5,7-8,10-15,18H,1-2,6,9,16-17H2,(H,27,28)
PubChem CID44589339
ChEMBLCHEMBL514894
IUPHARN/A
BindingDBN/A
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
112756Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300
112757Free fatty acid receptor 4Q5NUL3FFAR4Homo sapiens (Human)377

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