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

NameCHEMBL521685
Molecular formulaC23H23ClN4O2
IUPAC name4-[2-[3-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine
Molecular weight422.913
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.1
SynonymsBDBM50260501
SCHEMBL5781215
4-(2-(3-(3-(2-Chlorobenzyl)-1,2,4-oxadiazol-5-yl)-1H-indol-1-yl)ethyl)morpholine
Inchi KeyCNKBVNMRAAYLLG-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H23ClN4O2/c24-20-7-3-1-5-17(20)15-22-25-23(30-26-22)19-16-28(21-8-4-2-6-18(19)21)10-9-27-11-13-29-14-12-27/h1-8,16H,9-15H2
PubChem CID22339945
ChEMBLCHEMBL521685
IUPHARN/A
BindingDB50260501
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
46099Cannabinoid receptor 1P47746Cnr1Mus musculus (Mouse)473
46100Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473

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