Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX 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 NeBcon WDL-RF ATPbind DockRMSD

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

You can:

Ligand

NameCHEMBL3601377
Molecular formulaC23H26N4O4
IUPAC name2-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-5-[(5-methoxypyridin-2-yl)methoxy]pyridazin-3-one
Molecular weight422.485
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP1.7
SynonymsSCHEMBL15238663
ACBKFGPDANWBLT-UHFFFAOYSA-N
BDBM142122
SB19163
BI-186908
[ Show all ]
Inchi KeyACBKFGPDANWBLT-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26N4O4/c1-16-9-17(13-26(2)3)5-8-21(16)22(28)14-27-23(29)10-20(12-25-27)31-15-18-6-7-19(30-4)11-24-18/h5-12H,13-15H2,1-4H3
PubChem CID71714121
ChEMBLCHEMBL3601377
IUPHARN/A
BindingDB142122
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
463131Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
1403Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
463130Melanin-concentrating hormone receptor 1P97639Mchr1Rattus norvegicus (Rat)353

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