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

NameCHEMBL75045
Molecular formulaC14H16N2O2S
IUPAC name8-methyl-3-phenyl-2-sulfanylidene-1-oxa-3,8-diazaspiro[4.5]decan-4-one
Molecular weight276.354
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP2.3
Synonyms2-Thioxo-3-phenyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-4-one
BDBM50044701
8-Methyl-3-phenyl-2-thioxo-1-oxa-3,8-diaza-spiro[4.5]decan-4-one
Inchi KeyHIKXZNWACRALGD-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H16N2O2S/c1-15-9-7-14(8-10-15)12(17)16(13(19)18-14)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
PubChem CID14956863
ChEMBLCHEMBL75045
IUPHARN/A
BindingDB50044701
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
115816Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
115815Muscarinic acetylcholine receptor M2Q9ERZ4Chrm2Mus musculus (Mouse)466

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