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

NameSCHEMBL2192711
Molecular formulaC12H14ClN3O
IUPAC name2-chloro-3-cyclohexyl-4H-imidazo[4,5-b]pyridin-5-one
Molecular weight251.714
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP2.5
SynonymsCHEMBL3715375
2-Chloro-3-cyclohexyl-3H-imidazo[4,5-b]pyridin-5-ol
FTMNFQMNRIXFIQ-UHFFFAOYSA-N
Inchi KeyFTMNFQMNRIXFIQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H14ClN3O/c13-12-14-9-6-7-10(17)15-11(9)16(12)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,15,17)
PubChem CID58345644
ChEMBLCHEMBL3715375
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
524041Hydroxycarboxylic acid receptor 1Q9BXC0HCAR1Homo sapiens (Human)346

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