Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

TM-score TM-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 WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

NameCHEMBL2314301
Molecular formulaC25H19ClN2O2
IUPAC name5-chloro-4-(4-ethylphenoxy)-2-(9H-fluoren-9-yl)pyridazin-3-one
Molecular weight414.889
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.7
SynonymsBDBM50425593
SR-02000001156
SR-02000001156-1
Inchi KeyCHWLYDOFIFXAQD-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H19ClN2O2/c1-2-16-11-13-17(14-12-16)30-24-22(26)15-27-28(25(24)29)23-20-9-5-3-7-18(20)19-8-4-6-10-21(19)23/h3-15,23H,2H2,1H3
PubChem CID51000464
ChEMBLCHEMBL2314301
IUPHARN/A
BindingDB50425593
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
42362Neuropeptides B/W receptor type 1P48145NPBWR1Homo sapiens (Human)328

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