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 DMFold 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

NameMLS000712878
Molecular formulaC19H18N2O5
IUPAC name5-[(2Z)-2-(2-ethyl-2-methyl-6-phenyl-1,3-dioxin-4-ylidene)ethylidene]-1,3-diazinane-2,4,6-trione
Molecular weight354.362
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.9
SynonymsAC1NXW9S
BDBM59497
SR-01000326074-1
5-[(2Z)-2-(2-ethyl-2-methyl-6-phenyl-1,3-dioxin-4-ylidene)ethylidene]-1,3-diazinane-2,4,6-trione
cid_5760788
[ Show all ]
Inchi KeyGAGYVANRLKJATI-LCYFTJDESA-N
Inchi IDInChI=1S/C19H18N2O5/c1-3-19(2)25-13(11-15(26-19)12-7-5-4-6-8-12)9-10-14-16(22)20-18(24)21-17(14)23/h4-11H,3H2,1-2H3,(H2,20,21,22,23,24)/b13-9-
PubChem CID5760788
ChEMBLCHEMBL1540557
IUPHARN/A
BindingDBN/A
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
474197Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593
91619Thyrotropin-releasing hormone receptorP34981TRHRHomo sapiens (Human)398

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