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

NameCHEMBL209380
Molecular formulaC27H33FN2O
IUPAC name4-(4-fluorophenyl)-8-[1-(3-methylphenyl)cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
Molecular weight420.572
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.9
Synonymsrac-4-(4-fluoro-phenyl)-8-(1-m-tolyl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one
4-(4-fluoro-phenyl)-8-(1-m-tolyl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one
SCHEMBL5562071
BDBM50188845
Inchi KeyAHHHFIOUWFYJQZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H33FN2O/c1-20-6-5-7-22(18-20)27(12-3-2-4-13-27)30-16-14-26(15-17-30)24(19-29-25(26)31)21-8-10-23(28)11-9-21/h5-11,18,24H,2-4,12-17,19H2,1H3,(H,29,31)
PubChem CID11464294
ChEMBLCHEMBL209380
IUPHARN/A
BindingDB50188845
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
5541Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
5540Nociceptin receptorP41146OPRL1Homo sapiens (Human)370

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