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

NameCHEMBL470199
Molecular formulaC18H16O3
IUPAC name3-benzyl-5-methoxy-7-methylchromen-2-one
Molecular weight280.323
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.2
SynonymsBDBM50278379
D08MON
3-Benzyl-5-methoxy-7-methylchromen-2-one
Inchi KeyAOPKGUPAQXHRKK-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H16O3/c1-12-8-16(20-2)15-11-14(18(19)21-17(15)9-12)10-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3
PubChem CID16067266
ChEMBLCHEMBL470199
IUPHARN/A
BindingDB50278379
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
10471Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
10472Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473
10474Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360
10475G-protein coupled receptor 55Q9Y2T6GPR55Homo sapiens (Human)319
10473N-arachidonyl glycine receptorQ14330GPR18Homo sapiens (Human)331

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