Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL204474
Molecular formulaC26H23N5O2
IUPAC name4-[[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenoxy]methyl]benzonitrile
Molecular weight437.503
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.5
SynonymsSCHEMBL3636011
BDBM19402
2,4-diaminopyrimidine derivative, 10b
Inchi KeyAQYMUQIJCIMKFH-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H23N5O2/c27-14-18-6-8-20(9-7-18)16-33-22-12-10-21(11-13-22)24-23(30-26(29)31-25(24)28)17-32-15-19-4-2-1-3-5-19/h1-13H,15-17H2,(H4,28,29,30,31)
PubChem CID11166495
ChEMBLCHEMBL204474
IUPHARN/A
BindingDB19402
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
12210Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

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