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

NameBAS 06989119
Molecular formulaC16H17N7O2
IUPAC name3-[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
Molecular weight339.359
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP1.9
Synonyms6-(4-Benzylamino-6-dimethylamino-[1,3,5]triazin-2-yloxy)-pyridazin-3-ol
SMR000014112
AC1LD97X
MLS000033916
MLS002538274
[ Show all ]
Inchi KeyAHTZZBZOIURWJC-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H17N7O2/c1-23(2)15-18-14(17-10-11-6-4-3-5-7-11)19-16(20-15)25-13-9-8-12(24)21-22-13/h3-9H,10H2,1-2H3,(H,21,24)(H,17,18,19,20)
PubChem CID644430
ChEMBLCHEMBL1313650
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
5887Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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