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

NameCHEMBL542879
Molecular formulaC20H23Cl2N3O5
IUPAC name4-(3-ethyl-2,4-dioxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)but-2-ynyl N-(3-chlorophenyl)carbamate;hydrochloride
Molecular weight456.32
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogPNone
SynonymsN/A
Inchi KeyIEYNAZLHSLWZLC-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22ClN3O5.ClH/c1-2-24-17(25)20(29-19(24)27)8-11-23(12-9-20)10-3-4-13-28-18(26)22-16-7-5-6-15(21)14-16;/h5-7,14H,2,8-13H2,1H3,(H,22,26);1H
PubChem CID45260707
ChEMBLCHEMBL542879
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
131646Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
131647Muscarinic acetylcholine receptor M2Q9ERZ4Chrm2Mus musculus (Mouse)466

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