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

NameCHEMBL1950743
Molecular formulaC21H29N3O2
IUPAC name3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one
Molecular weight355.482
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.3
SynonymsBDBM50364958
SCHEMBL1375906
Inchi KeyAUNMHWAGSWQKHU-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H29N3O2/c1-21(2)14-19(22-23-20(21)25)15-6-8-17(9-7-15)26-18-10-12-24(13-11-18)16-4-3-5-16/h6-9,16,18H,3-5,10-14H2,1-2H3,(H,23,25)
PubChem CID24993178
ChEMBLCHEMBL1950743
IUPHARN/A
BindingDB50364958
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
14808Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
14809Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445

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