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 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

NameCHEMBL3342365
Molecular formulaC15H21N5
IUPAC name4-N-(2,2-dimethylpropyl)-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine
Molecular weight271.368
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.2
SynonymsBDBM50030767
Inchi KeyJCDBDQZHKLBHIY-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H21N5/c1-15(2,3)10-18-13-9-12(19-14(16-4)20-13)11-7-5-6-8-17-11/h5-9H,10H2,1-4H3,(H2,16,18,19,20)
PubChem CID118716408
ChEMBLCHEMBL3342365
IUPHARN/A
BindingDB50030767
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
447527G-protein coupled receptor 39O43194GPR39Homo sapiens (Human)453
447528G-protein coupled receptor 39Q5U431Gpr39Mus musculus (Mouse)456

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