Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM DMFold SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-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 TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

NameCHEMBL3415012
Molecular formulaC24H30N4O2
IUPAC name2-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]acetamide
Molecular weight406.53
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.2
SynonymsN/A
Inchi KeyAPDVLSKJSJILHD-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H30N4O2/c1-30-23-10-5-4-9-22(23)28-15-13-27(14-16-28)12-6-11-25-24(29)17-19-18-26-21-8-3-2-7-20(19)21/h2-5,7-10,18,26H,6,11-17H2,1H3,(H,25,29)
PubChem CID73438501
ChEMBLCHEMBL3415012
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
442132Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
442134Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
442133Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561

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