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 ●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

NameCHEMBL435949
Molecular formulaC19H22N4O
IUPAC name3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
Molecular weight322.412
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.7
Synonyms3-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine
BDBM50099890
IDBBDQXTEVOOKW-UHFFFAOYSA-N
3-{[4-(2-methoxyphenyl)-1-piperazinyl]methyl}-1H-pyrrolo[2,3-b]pyridine
SCHEMBL5198681
Inchi KeyIDBBDQXTEVOOKW-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H22N4O/c1-24-18-7-3-2-6-17(18)23-11-9-22(10-12-23)14-15-13-21-19-16(15)5-4-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)
PubChem CID10314060
ChEMBLCHEMBL435949
IUPHARN/A
BindingDB50099890
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 22
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
1302915-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1302965-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
1302755-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
1302845-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
1302805-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
1302795-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
1302955-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
1302785-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
1302825-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
130286D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
130281D(1B) dopamine receptorP25115Drd5Rattus norvegicus (Rat)475
130276D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
130294D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446
130289D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387
130290Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
130287Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
130277Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
130283Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
130288Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
130293Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417