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

NameCHEMBL3641712
Molecular formulaC15H18N4O
IUPAC name6-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridazin-3-amine
Molecular weight270.336
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP1.1
SynonymsSCHEMBL12610333
BDBM129518
US8802673, 160
Inchi KeyHFUZOZOERXDHOL-CQSZACIVSA-N
Inchi IDInChI=1S/C15H18N4O/c1-11-2-7-15(19-18-11)17-13-5-3-12(4-6-13)14-10-16-8-9-20-14/h2-7,14,16H,8-10H2,1H3,(H,17,19)/t14-/m1/s1
PubChem CID68325862
ChEMBLCHEMBL3641712
IUPHARN/A
BindingDB129518
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
113779Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332
113780Trace amine-associated receptor 7bQ923X8Taar7bRattus norvegicus (Rat)358

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