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

NameCHEMBL369102
Molecular formulaC25H31N3O
IUPAC name1-(2-methoxyphenyl)-4-[[1-(2,4,6-trimethylphenyl)pyrrol-3-yl]methyl]piperazine
Molecular weight389.543
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.8
SynonymsN/A
Inchi KeyAFTGTNZJZNTEAY-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H31N3O/c1-19-15-20(2)25(21(3)16-19)28-10-9-22(18-28)17-26-11-13-27(14-12-26)23-7-5-6-8-24(23)29-4/h5-10,15-16,18H,11-14,17H2,1-4H3
PubChem CID44388887
ChEMBLCHEMBL369102
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
44555-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448

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