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

NameSCHEMBL16482946
Molecular formulaC19H23F4NO2
IUPAC name2-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid
Molecular weight373.392
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.3
SynonymsBDBM261536
US9708270, 31
Inchi KeyHIDWVEBDJPTQNU-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H23F4NO2/c20-15-10-14(19(21,22)23)11-16(12-15)24-7-5-18(6-8-24)3-1-13(2-4-18)9-17(25)26/h10-13H,1-9H2,(H,25,26)
PubChem CID73777154
ChEMBLN/A
IUPHARN/A
BindingDB261536
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
560869Free fatty acid receptor 4Q5NUL3FFAR4Homo sapiens (Human)377

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