Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL2205617
Molecular formulaC21H20F4N2O3S
IUPAC name2-fluoro-N-[3-(piperidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-6-(trifluoromethyl)benzamide
Molecular weight456.456
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50402874
Inchi KeyAAKPJTRCQRGFJX-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20F4N2O3S/c22-14-6-4-5-13(21(23,24)25)17(14)18(28)26-19-16(12-7-10-30-11-15(12)31-19)20(29)27-8-2-1-3-9-27/h4-6H,1-3,7-11H2,(H,26,28)
PubChem CID71454145
ChEMBLCHEMBL2205617
IUPHARN/A
BindingDB50402874
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
277Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
278Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360

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