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

NameCHEMBL1922004
Molecular formulaC24H29N5O
IUPAC name4-N-(2,4-dimethylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine
Molecular weight403.53
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP6.0
SynonymsBDBM50358674
SCHEMBL10143393
Inchi KeyFOGIYCFXQGFUDY-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H29N5O/c1-17-7-12-21(18(2)15-17)26-22-16-23(29-13-5-4-6-14-29)28-24(27-22)25-19-8-10-20(30-3)11-9-19/h7-12,15-16H,4-6,13-14H2,1-3H3,(H2,25,26,27,28)
PubChem CID57401222
ChEMBLCHEMBL1922004
IUPHARN/A
BindingDB50358674
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
83254Galanin receptor type 1P47211GALR1Homo sapiens (Human)349
83253Galanin receptor type 2O43603GALR2Homo sapiens (Human)387

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