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

NameAH-001
Molecular formulaC13H17NO2
IUPAC nameN-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
Molecular weight219.284
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP1.9
Synonyms8-methoxy-2-acetamido-tetralin
AH 001
FT-0770383
PDSP2_001796
2-Acetamido-8-methoxytetralin
[ Show all ]
Inchi KeyVDJCYVYVTWEIPD-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H17NO2/c1-9(15)14-11-7-6-10-4-3-5-13(16-2)12(10)8-11/h3-5,11H,6-8H2,1-2H3,(H,14,15)
PubChem CID3018920
ChEMBLCHEMBL53015
IUPHARN/A
BindingDB50035176
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
462255Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
352290Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362
352291Melatonin receptor type 1BP51050Gallus gallus (Chicken)289

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