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

NameCHEMBL2392178
Molecular formulaC18H10BrNO7
IUPAC name8-(1,3-benzodioxole-5-carbonylamino)-6-bromo-4-oxochromene-2-carboxylic acid
Molecular weight432.182
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.6
SynonymsBDBM50436011
Inchi KeyFUKFLDCZGWCNGA-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H10BrNO7/c19-9-4-10-12(21)6-15(18(23)24)27-16(10)11(5-9)20-17(22)8-1-2-13-14(3-8)26-7-25-13/h1-6H,7H2,(H,20,22)(H,23,24)
PubChem CID71733847
ChEMBLCHEMBL2392178
IUPHARN/A
BindingDB50436011
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
87489G-protein coupled receptor 35Q9ES90Gpr35Mus musculus (Mouse)307
87490G-protein coupled receptor 35Q9HC97GPR35Homo sapiens (Human)309
87491G-protein coupled receptor 55Q9Y2T6GPR55Homo sapiens (Human)319

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