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

I-TASSER C-I-TASSER QUARK C-QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH Threapp BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN 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 TripletRes WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner

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

NameSMR000163162
Molecular formulaC23H19F3N2O5
IUPAC nameN-[2-(3-methylphenoxy)ethyl]-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
Molecular weight460.409
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.1
SynonymsAC1N7SWJ
HMS2360F13
SR-01000516887
BDBM42426
MolPort-002-699-776
[ Show all ]
Inchi KeyAOJRLYOUAGXQNN-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H19F3N2O5/c1-15-3-2-4-19(13-15)32-12-11-27-22(29)16-5-8-18(9-6-16)33-21-10-7-17(23(24,25)26)14-20(21)28(30)31/h2-10,13-14H,11-12H2,1H3,(H,27,29)
PubChem CID4332811
ChEMBLCHEMBL1342624
IUPHARN/A
BindingDB42426
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
10296Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
10295Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
10297Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381

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