Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner

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

Name114724-56-0
Molecular formulaC9H13N3O
IUPAC name3-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazole
Molecular weight179.223
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP0.8
SynonymsCHEMBL12378
3-Methyl-5-(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)-1,2,4-oxadiazole
ZINC13820157
BDBM50046728
1-Methyl-5-(3-methyl-[1,2,4]oxadiazol-5-yl)-1,2,3,6-tetrahydro-pyridine
[ Show all ]
Inchi KeyBKFJSSZEZLOHAQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C9H13N3O/c1-7-10-9(13-11-7)8-4-3-5-12(2)6-8/h4H,3,5-6H2,1-2H3
PubChem CID14235519
ChEMBLCHEMBL12378
IUPHARN/A
BindingDB50046728
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
25724Muscarinic acetylcholine receptor M1P12657Chrm1Mus musculus (Mouse)460
25725Muscarinic acetylcholine receptor M2Q9ERZ4Chrm2Mus musculus (Mouse)466
25723Muscarinic acetylcholine receptor M3Q9ERZ3Chrm3Mus musculus (Mouse)589
25726Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589

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