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

NameCHEMBL3121480
Molecular formulaC33H44N4O4+2
IUPAC name4-(4,5-dihydro-1,2-oxazol-3-yloxy)but-2-ynyl-[6-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-1-methylpiperidin-1-ium-1-yl]hexyl]-dimethylazanium
Molecular weight560.739
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.3
SynonymsBDBM50448371
CHEMBL3139898
Inchi KeyJDEDRWFTSNORGF-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H44N4O4/c1-36(2,20-8-9-24-40-30-18-25-41-34-30)19-6-4-5-7-21-37(3)22-16-27(17-23-37)35-32(38)28-14-10-12-26-13-11-15-29(31(26)28)33(35)39/h10-15,27H,4-7,16-25H2,1-3H3/q+2
PubChem CID76328904
ChEMBLN/A
IUPHARN/A
BindingDB50448371
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
561913Muscarinic acetylcholine receptor M2P06199CHRM2Sus scrofa (Pig)466

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