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

NameCHEMBL3633656
Molecular formulaC24H27N3O4
IUPAC name1-[2-(4-methoxyphenyl)-1H-indol-3-yl]-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]ethanone
Molecular weight421.497
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.6
SynonymsBDBM50133682
Inchi KeyLRHFIHBNRRLFSM-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H27N3O4/c1-26(16-22(29)27-11-13-31-14-12-27)15-21(28)23-19-5-3-4-6-20(19)25-24(23)17-7-9-18(30-2)10-8-17/h3-10,25H,11-16H2,1-2H3
PubChem CID122195446
ChEMBLCHEMBL3633656
IUPHARN/A
BindingDB50133682
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4869725-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
486973Extracellular calcium-sensing receptorP48442CasrRattus norvegicus (Rat)1079
486971G-protein coupled receptor family C group 6 member AQ8K4Z6Gprc6aMus musculus (Mouse)928
486969Metabotropic glutamate receptor 5P31424Grm5Rattus norvegicus (Rat)1203
486970Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590

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