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

NameCHEMBL3697593
Molecular formulaC20H21N3O3
IUPAC name4-[4-(4-methoxy-3-methylpyridin-2-yl)oxy-2-methylphenyl]-3,5-dimethyl-1H-pyridazin-6-one
Molecular weight351.406
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.1
SynonymsSCHEMBL16336243
Inchi KeyAMWVMPZDMQEAGC-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21N3O3/c1-11-10-15(26-20-12(2)17(25-5)8-9-21-20)6-7-16(11)18-13(3)19(24)23-22-14(18)4/h6-10H,1-5H3,(H,23,24)
PubChem CID117773010
ChEMBLCHEMBL3697593
IUPHARN/A
BindingDB160891
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
459296D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446

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