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

NameSCHEMBL2192056
Molecular formulaC12H13N3O2
IUPAC name3-(2-oxocyclohexyl)-4H-imidazo[4,5-b]pyridin-5-one
Molecular weight231.255
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP0.6
Synonyms2-(5-Hydroxy-3H-imidazo[4,5-b]pyridin-3-yl)cyclohexanone
HFXTUMMMOYNHID-UHFFFAOYSA-N
CHEMBL3716494
Inchi KeyHFXTUMMMOYNHID-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H13N3O2/c16-10-4-2-1-3-9(10)15-7-13-8-5-6-11(17)14-12(8)15/h5-7,9H,1-4H2,(H,14,17)
PubChem CID58345729
ChEMBLCHEMBL3716494
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
524803Hydroxycarboxylic acid receptor 1Q9BXC0HCAR1Homo sapiens (Human)346

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