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

NameCHEMBL440928
Molecular formulaC22H33N3O
IUPAC name8-cyclononyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Molecular weight355.526
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.7
Synonyms8-Cyclononyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
1-Phenyl-8-cyclononyl-1,3,8-triazaspiro[4.5]decane-4-one
BDBM50087687
SCHEMBL6839077
Inchi KeyIAUDPLBTMXJMKC-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H33N3O/c26-21-22(25(18-23-21)20-12-8-5-9-13-20)14-16-24(17-15-22)19-10-6-3-1-2-4-7-11-19/h5,8-9,12-13,19H,1-4,6-7,10-11,14-18H2,(H,23,26)
PubChem CID9885004
ChEMBLCHEMBL440928
IUPHARN/A
BindingDB50087687
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
128753Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
128752Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
128754Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
128751Nociceptin receptorP35370Oprl1Rattus norvegicus (Rat)367

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