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

NameCHEMBL1823405
Molecular formulaC20H26N4O
IUPAC name6-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-2-methylpyridazin-3-one
Molecular weight338.455
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP2.6
SynonymsBDBM50352801
Inchi KeyBADBSYKFOODGTN-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H26N4O/c1-22-20(25)11-10-19(21-22)16-6-8-18(9-7-16)24-14-12-23(13-15-24)17-4-2-3-5-17/h6-11,17H,2-5,12-15H2,1H3
PubChem CID56683753
ChEMBLCHEMBL1823405
IUPHARN/A
BindingDB50352801
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
18740Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
18741Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445

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