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

NameSCHEMBL16483225
Molecular formulaC19H25ClFNO2
IUPAC name2-[3-(2-chloro-3-fluoro-5-methylphenyl)-3-azaspiro[5.5]undecan-9-yl]acetic acid
Molecular weight353.862
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.4
SynonymsBDBM261542
US9708270, 37
Inchi KeyIJZWCFNWZRZOCY-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H25ClFNO2/c1-13-10-15(21)18(20)16(11-13)22-8-6-19(7-9-22)4-2-14(3-5-19)12-17(23)24/h10-11,14H,2-9,12H2,1H3,(H,23,24)
PubChem CID73777158
ChEMBLN/A
IUPHARN/A
BindingDB261542
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
561494Free fatty acid receptor 4Q5NUL3FFAR4Homo sapiens (Human)377

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