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

NameCHEMBL540543
Molecular formulaC16H21ClN2O3
IUPAC name8-benzyl-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione;hydrochloride
Molecular weight324.805
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogPNone
SynonymsN/A
Inchi KeyDJCIJKAGQGEKOA-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H20N2O3.ClH/c1-2-18-14(19)16(21-15(18)20)8-10-17(11-9-16)12-13-6-4-3-5-7-13;/h3-7H,2,8-12H2,1H3;1H
PubChem CID45264582
ChEMBLCHEMBL540543
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
61316Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
61315Muscarinic acetylcholine receptor M2Q9ERZ4Chrm2Mus musculus (Mouse)466

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