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

NameSCHEMBL2194452
Molecular formulaC13H17N3O4S
IUPAC name(3-cyclohexyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl) methanesulfonate
Molecular weight311.356
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.7
SynonymsCHEMBL3718427
3-Cyclohexyl-2-hydroxy-3H-imidazo[4,5-b]pyridin-5-yl Methanesulfonate
FBRFLFBYZFOUCO-UHFFFAOYSA-N
Inchi KeyFBRFLFBYZFOUCO-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H17N3O4S/c1-21(18,19)20-11-8-7-10-12(15-11)16(13(17)14-10)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,14,17)
PubChem CID86655261
ChEMBLCHEMBL3718427
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
523725Hydroxycarboxylic acid receptor 1Q9BXC0HCAR1Homo sapiens (Human)346

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