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 DMFold 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

NameCHEMBL2387536
Molecular formulaC20H19FO3
IUPAC name3-[(4-fluorophenyl)methyl]-6-methoxy-5,7,8-trimethylchromen-2-one
Molecular weight326.367
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.0
SynonymsBDBM50434878
Inchi KeySFAFBMCTCOQXBE-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19FO3/c1-11-12(2)19-17(13(3)18(11)23-4)10-15(20(22)24-19)9-14-5-7-16(21)8-6-14/h5-8,10H,9H2,1-4H3
PubChem CID71682642
ChEMBLCHEMBL2387536
IUPHARN/A
BindingDB50434878
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
312641Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
312644Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360
312643G-protein coupled receptor 55Q9Y2T6GPR55Homo sapiens (Human)319
312642N-arachidonyl glycine receptorQ14330GPR18Homo sapiens (Human)331

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218