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

NameCHEMBL2010909
Molecular formulaC19H18F4N2O3S
IUPAC name2-[[2-fluoro-6-(trifluoromethyl)benzoyl]amino]-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
Molecular weight430.418
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.2
SynonymsBDBM50379699
Inchi KeyAYSRJCOIKJXGSM-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H18F4N2O3S/c1-2-7-24-16(26)14-10-6-8-28-9-13(10)29-18(14)25-17(27)15-11(19(21,22)23)4-3-5-12(15)20/h3-5H,2,6-9H2,1H3,(H,24,26)(H,25,27)
PubChem CID70693593
ChEMBLCHEMBL2010909
IUPHARN/A
BindingDB50379699
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
17754Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
17753Cannabinoid receptor 2Q9QZN9Cnr2Rattus norvegicus (Rat)360
17755Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360

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