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

NameCHEMBL2386363
Molecular formulaC19H14FNO2
IUPAC name3-[4-[2-(5-cyano-2-methylphenyl)ethynyl]-2-fluorophenyl]propanoic acid
Molecular weight307.324
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50434304
SCHEMBL12984362
Inchi KeyITBHQTMFISWEAT-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H14FNO2/c1-13-2-3-15(12-21)10-17(13)7-5-14-4-6-16(18(20)11-14)8-9-19(22)23/h2-4,6,10-11H,8-9H2,1H3,(H,22,23)
PubChem CID66562386
ChEMBLCHEMBL2386363
IUPHARN/A
BindingDB50434304
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
141178Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300
141177Free fatty acid receptor 4Q5NUL3FFAR4Homo sapiens (Human)377

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