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

NameCHEMBL139627
Molecular formulaC19H21NO3
IUPAC nameN-[2-[3-(cyclopropanecarbonyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
Molecular weight311.381
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.9
SynonymsBDBM50408652
SCHEMBL8610833
ZINC13781830
Inchi KeyAGJNRNIEUYRJMA-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H21NO3/c1-12(21)20-8-7-15-10-16(19(22)13-3-4-13)9-14-5-6-17(23-2)11-18(14)15/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,20,21)
PubChem CID23360817
ChEMBLCHEMBL139627
IUPHARN/A
BindingDB50408652
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4929Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350

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