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

NameCHEMBL1995837
Molecular formulaC27H26BrN3O3
IUPAC name6-bromo-4-(4-ethoxyphenoxy)-2-(naphthalen-1-ylmethyl)-5-pyrrolidin-1-ylpyridazin-3-one
Molecular weight520.427
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP6.2
SynonymsSR-02000001258
SR-02000001258-1
Inchi KeyAEVTUVVQMJIYOU-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H26BrN3O3/c1-2-33-21-12-14-22(15-13-21)34-25-24(30-16-5-6-17-30)26(28)29-31(27(25)32)18-20-10-7-9-19-8-3-4-11-23(19)20/h3-4,7-15H,2,5-6,16-18H2,1H3
PubChem CID53234180
ChEMBLCHEMBL1995837
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3892Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
3891Neuropeptides B/W receptor type 1P48145NPBWR1Homo sapiens (Human)328

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