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

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM DMFold SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-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 TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

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

You can:

Ligand

NameCHEMBL599000
Molecular formulaC15H20N4
IUPAC name2-[5-(2,6-dimethylphenyl)-1,2,4-triazin-3-yl]-N,N-dimethylethanamine
Molecular weight256.353
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP1.9
Synonyms2-(5-(2,6-Dimethylphenyl)-1,2,4-triazin-3-yl)-N,Ndimethylethanamine
BDBM50307498
Inchi KeyASRQKQRIVCTYNQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H20N4/c1-11-6-5-7-12(2)15(11)13-10-16-18-14(17-13)8-9-19(3)4/h5-7,10H,8-9H2,1-4H3
PubChem CID46233385
ChEMBLCHEMBL599000
IUPHARN/A
BindingDB50307498
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
134725-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479

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