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

NameNCGC00011842
Molecular formulaC20H21N3O3
IUPAC nameN-[(2,4-dimethoxyphenyl)methyl]-6-(2-methoxyphenyl)pyrimidin-4-amine
Molecular weight351.406
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.6
SynonymsAC1MM7JI
CHEMBL1551139
PCOP-630209
N-[(2,4-dimethoxyphenyl)methyl]-6-(2-methoxyphenyl)pyrimidin-4-amine
Inchi KeyAHZDWIPYNWUZFH-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21N3O3/c1-24-15-9-8-14(19(10-15)26-3)12-21-20-11-17(22-13-23-20)16-6-4-5-7-18(16)25-2/h4-11,13H,12H2,1-3H3,(H,21,22,23)
PubChem CID3234420
ChEMBLCHEMBL1551139
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6010Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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