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

Namespiropiperidine analogue, 11
Molecular formulaC28H31N3O
IUPAC name8-benzhydryl-3-ethyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Molecular weight425.576
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.4
SynonymsBDBM26890
8-(diphenylmethyl)-3-ethyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CHEMBL474091
Inchi KeyAJCMEBINTIHGEB-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H31N3O/c1-2-29-22-31(25-16-10-5-11-17-25)28(27(29)32)18-20-30(21-19-28)26(23-12-6-3-7-13-23)24-14-8-4-9-15-24/h3-17,26H,2,18-22H2,1H3
PubChem CID25190572
ChEMBLCHEMBL474091
IUPHARN/A
BindingDB26890
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6783Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
6786Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
6784Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
6785Nociceptin receptorP41146OPRL1Homo sapiens (Human)370

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