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

NameMLS000033110
Molecular formulaC12H11N5O2S
IUPAC name1-ethyl-6-methyl-3-thiophen-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
Molecular weight289.313
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP1.4
Synonymscid_653297
SCHEMBL10195758
STK177227
1-ethyl-6-methyl-3-(2-thienyl)pyrimido[5,4-e][1,2,4]triazine-5,7-quinone
BAS 00444322
[ Show all ]
Inchi KeyDMDNERFCUCYCGM-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H11N5O2S/c1-3-17-10-8(11(18)16(2)12(19)14-10)13-9(15-17)7-5-4-6-20-7/h4-6H,3H2,1-2H3
PubChem CID653297
ChEMBLCHEMBL555689
IUPHARN/A
BindingDB31044
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
635765-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
635775-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
63572Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
63575Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
470733Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593
63573Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
63574Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
63578Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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