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 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

NameSCHEMBL2194841
Molecular formulaC14H13N3O
IUPAC name3-(2,5-dimethylphenyl)-4H-imidazo[4,5-b]pyridin-5-one
Molecular weight239.278
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP2.2
Synonyms3-(2,5-Dimethylphenyl)-3H-imidazo[4,5-b]pyridin-5-ol
KBKPLFKDLKTYTR-UHFFFAOYSA-N
CHEMBL3716281
Inchi KeyKBKPLFKDLKTYTR-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H13N3O/c1-9-3-4-10(2)12(7-9)17-8-15-11-5-6-13(18)16-14(11)17/h3-8H,1-2H3,(H,16,18)
PubChem CID58345635
ChEMBLCHEMBL3716281
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
526226Hydroxycarboxylic acid receptor 1Q9BXC0HCAR1Homo sapiens (Human)346

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417