Home Research COVID-19 Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL2205606
Molecular formulaC20H20F2N2O5S
IUPAC name2-(difluoromethoxy)-N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]benzamide
Molecular weight438.446
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM50402883
Inchi KeyABPNWDCSONFZFL-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20F2N2O5S/c21-20(22)29-14-4-2-1-3-12(14)17(25)23-18-16(13-5-8-28-11-15(13)30-18)19(26)24-6-9-27-10-7-24/h1-4,20H,5-11H2,(H,23,25)
PubChem CID71454142
ChEMBLCHEMBL2205606
IUPHARN/A
BindingDB50402883
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
1067Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
1066Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360

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