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

NameCHEMBL34729
Molecular formulaC15H18N2O2
IUPAC nameN-[(4-methoxy-1H-indol-2-yl)methyl]cyclobutanecarboxamide
Molecular weight258.321
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP2.2
SynonymsN-[(4-Methoxy-1H-indole-2-yl)methyl]cyclobutanecarboxamide
Inchi KeyBDBFRVSIZCSSBS-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H18N2O2/c1-19-14-7-3-6-13-12(14)8-11(17-13)9-16-15(18)10-4-2-5-10/h3,6-8,10,17H,2,4-5,9H2,1H3,(H,16,18)
PubChem CID10563168
ChEMBLCHEMBL34729
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
20757Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
20758Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362

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