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 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

NameCHEMBL428022
Molecular formulaC23H26ClN3O
IUPAC nameN-(2-aminoethyl)-N-[(Z)-2-chloro-3-phenylprop-2-enyl]-4-(1H-indol-3-yl)butanamide
Molecular weight395.931
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP3.9
SynonymsBDBM50217673
(Z)-N-(2-aminoethyl)-N-(2-chloro-3-phenylallyl)-4-(1H-indol-3-yl)butanamide
Inchi KeyCCKWXYYVMDONEI-HKWRFOASSA-N
Inchi IDInChI=1S/C23H26ClN3O/c24-20(15-18-7-2-1-3-8-18)17-27(14-13-25)23(28)12-6-9-19-16-26-22-11-5-4-10-21(19)22/h1-5,7-8,10-11,15-16,26H,6,9,12-14,17,25H2/b20-15-
PubChem CID44434572
ChEMBLCHEMBL428022
IUPHARN/A
BindingDB50217673
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
38694Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
38695Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
38693Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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