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

NameCHEMBL76107
Molecular formulaC14H23N3OS
IUPAC name3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(4-methylpentoxy)-1,2,5-thiadiazole
Molecular weight281.418
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.0
Synonyms1,2,5,6-Tetrahydro-1-methyl-3-[4-(4-methylpentyloxy)-1,2,5-thiadiazol-3-yl]pyridine
BDBM50006592
SCHEMBL6914306
1-Methyl-5-[4-(4-methyl-pentyloxy)-[1,2,5]thiadiazol-3-yl]-1,2,3,6-tetrahydro-pyridine; compound with but-2-enedioic acid
CHEMBL1179457
Inchi KeyBBFYFLUXOWMIDL-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H23N3OS/c1-11(2)6-5-9-18-14-13(15-19-16-14)12-7-4-8-17(3)10-12/h7,11H,4-6,8-10H2,1-3H3
PubChem CID18920296
ChEMBLN/A
IUPHARN/A
BindingDB50006592
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
19461Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417