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

NameCHEMBL392798
Molecular formulaC23H26FN3O
IUPAC name8-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Molecular weight379.479
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM50204794
8-(8-fluoro-1,2,3,4-tetrahydro-naphthalen-1-yl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
Inchi KeyBMBYGEWAZCUDPS-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26FN3O/c24-19-10-4-6-17-7-5-11-20(21(17)19)26-14-12-23(13-15-26)22(28)25-16-27(23)18-8-2-1-3-9-18/h1-4,6,8-10,20H,5,7,11-16H2,(H,25,28)
PubChem CID44438983
ChEMBLCHEMBL392798
IUPHARN/A
BindingDB50204794
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
27296Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
27295Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
27294Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
27297Nociceptin receptorP41146OPRL1Homo sapiens (Human)370

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