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

NameCHEMBL396655
Molecular formulaC22H27N3O
IUPAC nameN-(2-aminoethyl)-3-(1H-indol-3-yl)-N-(3-phenylpropyl)propanamide
Molecular weight349.478
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP3.1
SynonymsBDBM50217790
N-(2-aminoethyl)-3-(1H-indol-3-yl)-N-(3-phenylpropyl)propanamide
Inchi KeyDIESRRMGUFIAAC-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H27N3O/c23-14-16-25(15-6-9-18-7-2-1-3-8-18)22(26)13-12-19-17-24-21-11-5-4-10-20(19)21/h1-5,7-8,10-11,17,24H,6,9,12-16,23H2
PubChem CID9946358
ChEMBLCHEMBL396655
IUPHARN/A
BindingDB50217790
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
60683Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
60684Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325
60682Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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