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

Name1103458-91-8
Molecular formulaC29H30N6O3
IUPAC name4-(6-methoxypyridin-3-yl)-N-[2-methyl-3-[(6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]phenyl]benzamide
Molecular weight510.598
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.7
SynonymsAKOS025291374
SCHEMBL1162246
Benzamide,4-(6-methoxy-3-pyridinyl)-N-[2-methyl-3-[[6-oxo-4-(1-piperazinyl)-1(6H)-pyridazinyl]methyl]phenyl]-
4-(6-Methoxypyridin-3-yl)-N-(2-methyl-3-((6-oxo-4-(piperazin-1-yl)pyridazin-1(6H)-yl)methyl)phenyl)benzamide
KB-74940
[ Show all ]
Inchi KeyIFWGJAXMPXZADJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H30N6O3/c1-20-24(19-35-28(36)16-25(18-32-35)34-14-12-30-13-15-34)4-3-5-26(20)33-29(37)22-8-6-21(7-9-22)23-10-11-27(38-2)31-17-23/h3-11,16-18,30H,12-15,19H2,1-2H3,(H,33,37)
PubChem CID25209705
ChEMBLCHEMBL475965
IUPHARN/A
BindingDB50412987
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 40
Page:  / 3 

GLASS IDNameUniProtGeneSpeciesLength
1322965-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1322845-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
1322705-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
1322975-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
1322775-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
1322885-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
1322715-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
1322955-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
132286Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
132268Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
446902Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
132289B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
132272Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
132298C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
132279Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
132299D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
132285D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
132282Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
132302Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427
132303Galanin receptor type 2O43603GALR2Homo sapiens (Human)387

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