Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL1243232
Molecular formulaC19H27N3O3
IUPAC nameN-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]propanamide
Molecular weight345.443
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP1.8
SynonymsBDBM50326245
N-{1-[3-(3-Oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-propyl]-piperidin-4-yl}-propionamide
Inchi KeyAGKUUDUVMCFVHC-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H27N3O3/c1-2-18(23)20-15-8-12-21(13-9-15)10-5-11-22-16-6-3-4-7-17(16)25-14-19(22)24/h3-4,6-7,15H,2,5,8-14H2,1H3,(H,20,23)
PubChem CID46930250
ChEMBLCHEMBL1243232
IUPHARN/A
BindingDB50326245
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
4969Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460

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