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

NameCHEMBL3415013
Molecular formulaC25H32N4O2
IUPAC name3-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]propanamide
Molecular weight420.557
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.5
SynonymsN/A
Inchi KeyBBFIPEKVGBSHCU-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H32N4O2/c1-31-24-10-5-4-9-23(24)29-17-15-28(16-18-29)14-6-13-26-25(30)12-11-20-19-27-22-8-3-2-7-21(20)22/h2-5,7-10,19,27H,6,11-18H2,1H3,(H,26,30)
PubChem CID73437673
ChEMBLCHEMBL3415013
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
442422Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
442421Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
442420Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561

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