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

NameCHEMBL28833
Molecular formulaC21H26N4
IUPAC name3-[[4-(4-propylphenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
Molecular weight334.467
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.1
Synonyms3-[4-(4-Propyl-phenyl)-piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine
BDBM50099894
Inchi KeyQRQZDZPCRVUFNL-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H26N4/c1-2-4-17-6-8-19(9-7-17)25-13-11-24(12-14-25)16-18-15-23-21-20(18)5-3-10-22-21/h3,5-10,15H,2,4,11-14,16H2,1H3,(H,22,23)
PubChem CID44278114
ChEMBLCHEMBL28833
IUPHARN/A
BindingDB50099894
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 23
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
2852675-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
2852825-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
2852655-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
2852665-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
2852795-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
2852625-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
2852715-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
2852695-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
2852815-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
285273D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
285276D(1B) dopamine receptorP25115Drd5Rattus norvegicus (Rat)475
285264D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
285272D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446
285274D(4) dopamine receptorP30729Drd4Rattus norvegicus (Rat)387
285280Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
285261Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
285278Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
285277Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
285283Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
285275Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466

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