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

NameCHEMBL1091579
Molecular formulaC28H34N6O2
IUPAC name5-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]-1-ethylpyrimidine-2,4-dione
Molecular weight486.62
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.2
Synonyms5-((4-(2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl)piperazin-1-yl)methyl)-1-ethylpyrimidine-2,4(1H,3H)-dione
BDBM50315277
SCHEMBL4499727
Inchi KeyAFAITHRNRONGKR-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H34N6O2/c1-5-32-18-21(26(35)30-27(32)36)17-31-13-15-33(16-14-31)24-7-6-12-34-19-23(29-25(24)34)20-8-10-22(11-9-20)28(2,3)4/h6-12,18-19H,5,13-17H2,1-4H3,(H,30,35,36)
PubChem CID15602805
ChEMBLCHEMBL1091579
IUPHARN/A
BindingDB50315277
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
3989Gonadotropin-releasing hormone receptorP30969GnrhrRattus norvegicus (Rat)327
3990Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328

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