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

Name1072959-67-1
Molecular formulaC22H24N4O4
IUPAC nameN-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Molecular weight408.458
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.5
SynonymsBCP01976
HMS3244C09
N-(2-(2-(dimethylamino)ethoxy)-4-(1H-pyrazol-4-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide
SR 3677/
3897AH
[ Show all ]
Inchi KeyOQWZIAVXCYIZNN-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24N4O4/c1-26(2)9-10-28-20-11-15(16-12-23-24-13-16)7-8-17(20)25-22(27)21-14-29-18-5-3-4-6-19(18)30-21/h3-8,11-13,21H,9-10,14H2,1-2H3,(H,23,24)(H,25,27)
PubChem CID25093235
ChEMBLCHEMBL521179
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 35
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
2482385-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
2482275-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
248243Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
248245Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
451489Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
248228Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
248256Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
248233Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
248247Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
248251B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
248234B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
248242Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
248232Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
451490Cysteinyl leukotriene receptor 1Q9Y271CYSLTR1Homo sapiens (Human)337
248244D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
248250D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
248235D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
248240D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
248255Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
248252Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442

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