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

NameCHEMBL1981304
Molecular formulaC21H17ClN4O3
IUPAC name5-chloro-4-(4-methoxyphenoxy)-2-[(2-pyrazol-1-ylphenyl)methyl]pyridazin-3-one
Molecular weight408.842
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.5
SynonymsSR-02000001336-1
BDBM50425596
SR-02000001336
Inchi KeyAJCYLVWAVMALMD-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H17ClN4O3/c1-28-16-7-9-17(10-8-16)29-20-18(22)13-24-26(21(20)27)14-15-5-2-3-6-19(15)25-12-4-11-23-25/h2-13H,14H2,1H3
PubChem CID53338905
ChEMBLCHEMBL1981304
IUPHARN/A
BindingDB50425596
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
6795Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
6794Neuropeptides B/W receptor type 1P48145NPBWR1Homo sapiens (Human)328

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