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

NameCHEMBL3590089
Molecular formulaC27H34N4O3
IUPAC name3'-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
Molecular weight462.594
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.7
SynonymsBDBM50094283
1-[4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl]-3',4'-dihydrospiro[imidazolidine-4,1'(2'H)-naphthalene]-2,5-dione
Inchi KeyBUVAGKGIBHOSMY-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H34N4O3/c1-34-24-13-5-4-12-23(24)30-19-17-29(18-20-30)15-6-7-16-31-25(32)27(28-26(31)33)14-8-10-21-9-2-3-11-22(21)27/h2-5,9,11-13H,6-8,10,14-20H2,1H3,(H,28,33)
PubChem CID122181337
ChEMBLCHEMBL3590089
IUPHARN/A
BindingDB50094283
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 16
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4670245-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
4670325-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
4670235-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
4670375-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
4670365-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
4670255-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
4670285-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
4670345-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448
467026Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
467033D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
467022D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
467035D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
467031D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
467030D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
467027Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
467029Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590

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