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

NameCHEMBL593625
Molecular formulaC17H20F6N2O4S
IUPAC nameN-(3,4-dimethyl-5-morpholin-4-ylsulfonylphenyl)-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide
Molecular weight462.407
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50304916
N-(3,4-dimethyl-5-(morpholinosulfonyl)phenyl)-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide
Inchi KeyGOJRXPJKDWGTKN-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H20F6N2O4S/c1-10-8-12(24-14(26)15(3,16(18,19)20)17(21,22)23)9-13(11(10)2)30(27,28)25-4-6-29-7-5-25/h8-9H,4-7H2,1-3H3,(H,24,26)
PubChem CID46227721
ChEMBLCHEMBL593625
IUPHARN/A
BindingDB50304916
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
101273Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
101274Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360
101275Cannabinoid receptor 2Q9QZN9Cnr2Rattus norvegicus (Rat)360

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