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

NameCHEMBL1922015
Molecular formulaC22H24FN5O2
IUPAC name4-N-(3-fluoro-4-methoxyphenyl)-2-N-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
Molecular weight409.465
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.9
SynonymsSCHEMBL10144179
Inchi KeyIYBJEGSSKQTJDP-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24FN5O2/c1-29-17-8-5-15(6-9-17)25-22-26-20(14-21(27-22)28-11-3-4-12-28)24-16-7-10-19(30-2)18(23)13-16/h5-10,13-14H,3-4,11-12H2,1-2H3,(H2,24,25,26,27)
PubChem CID56643637
ChEMBLCHEMBL1922015
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
144503Galanin receptor type 1P47211GALR1Homo sapiens (Human)349
144504Galanin receptor type 2O43603GALR2Homo sapiens (Human)387

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417