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

NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
Molecular formulaC25H29N5O2
IUPAC nameN-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
Molecular weight431.54
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.1
SynonymsMCULE-4726591604
SR-01000145005-1
AKOS002126308
MolPort-007-935-628
EU-0064441
[ Show all ]
Inchi KeyABCRGCJZNLYEJF-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H29N5O2/c31-24(20-30-25(32)12-11-23(27-30)22-9-5-2-6-10-22)26-13-14-28-15-17-29(18-16-28)19-21-7-3-1-4-8-21/h1-12H,13-20H2,(H,26,31)
PubChem CID3243537
ChEMBLCHEMBL1570793
IUPHARN/A
BindingDBN/A
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
741Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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