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

NameCHEMBL117617
Molecular formulaC23H21NO4
IUPAC name2-(furan-2-yl)-N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]acetamide
Molecular weight375.424
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.2
SynonymsN/A
Inchi KeyCDGCFSKJQSGUMM-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H21NO4/c1-26-17-9-10-21-20(14-17)19(23(28-21)16-6-3-2-4-7-16)11-12-24-22(25)15-18-8-5-13-27-18/h2-10,13-14H,11-12,15H2,1H3,(H,24,25)
PubChem CID44343188
ChEMBLCHEMBL117617
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
39250Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
39249Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362

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