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

NameCHEMBL1922006
Molecular formulaC23H24F3N5O2
IUPAC name2-N-(4-methoxyphenyl)-6-piperidin-1-yl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
Molecular weight459.473
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP6.4
SynonymsSCHEMBL10143426
BDBM50358676
Inchi KeyKQELADNNCIMYFL-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H24F3N5O2/c1-32-18-10-8-16(9-11-18)28-22-29-20(15-21(30-22)31-12-3-2-4-13-31)27-17-6-5-7-19(14-17)33-23(24,25)26/h5-11,14-15H,2-4,12-13H2,1H3,(H2,27,28,29,30)
PubChem CID54764328
ChEMBLCHEMBL1922006
IUPHARN/A
BindingDB50358676
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
175441Galanin receptor type 1P47211GALR1Homo sapiens (Human)349
175440Galanin receptor type 2O43603GALR2Homo sapiens (Human)387

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