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

NameCHEMBL3628489
Molecular formulaC14H15NO4
IUPAC nameN-[2-(6-methoxy-2-oxochromen-4-yl)ethyl]acetamide
Molecular weight261.277
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP1.0
SynonymsBDBM50127639
Inchi KeyCGOUMZHIQFGLAI-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H15NO4/c1-9(16)15-6-5-10-7-14(17)19-13-4-3-11(18-2)8-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)
PubChem CID122193492
ChEMBLCHEMBL3628489
IUPHARN/A
BindingDB50127639
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
468004Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
468005Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362

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