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

NameCHEMBL2392146
Molecular formulaC13H11NO5
IUPAC name4-oxo-8-(propanoylamino)chromene-2-carboxylic acid
Molecular weight261.233
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP0.9
SynonymsBDBM50436035
Inchi KeyVJWBOVFPGASJKO-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H11NO5/c1-2-11(16)14-8-5-3-4-7-9(15)6-10(13(17)18)19-12(7)8/h3-6H,2H2,1H3,(H,14,16)(H,17,18)
PubChem CID71734942
ChEMBLCHEMBL2392146
IUPHARN/A
BindingDB50436035
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
356872G-protein coupled receptor 35Q9HC97GPR35Homo sapiens (Human)309
356874G-protein coupled receptor 35Q9ES90Gpr35Mus musculus (Mouse)307
356873G-protein coupled receptor 55Q9Y2T6GPR55Homo sapiens (Human)319

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