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

NameCHEMBL3908870
Molecular formulaC19H26N2O2
IUPAC name1-[4-(1,3-dihydroisoindol-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione
Molecular weight314.429
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP2.2
SynonymsBDBM50199137
SCHEMBL20358602
Inchi KeyHWHPJDOZGZLVJB-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H26N2O2/c1-19(2)11-17(22)21(18(23)12-19)10-6-5-9-20-13-15-7-3-4-8-16(15)14-20/h3-4,7-8H,5-6,9-14H2,1-2H3
PubChem CID134133064
ChEMBLCHEMBL3908870
IUPHARN/A
BindingDB50199137
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5494655-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
5494735-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5494705-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
5494715-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
5494685-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
549469D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
549466D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
549472D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387
549467Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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