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

NameCHEMBL66387
Molecular formulaC33H36N2O2
IUPAC nameN,N-diethyl-4-[(8-phenacyl-8-azabicyclo[3.2.1]octan-3-ylidene)-phenylmethyl]benzamide
Molecular weight492.663
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP6.6
SynonymsN,N-Diethyl-4-{[8-(2-oxo-2-phenyl-ethyl)-8-aza-bicyclo[3.2.1]oct-3-ylidene]-phenyl-methyl}-benzamide
BDBM50144227
Inchi KeyAEIDXTHWUACBSH-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H36N2O2/c1-3-34(4-2)33(37)27-17-15-26(16-18-27)32(25-13-9-6-10-14-25)28-21-29-19-20-30(22-28)35(29)23-31(36)24-11-7-5-8-12-24/h5-18,29-30H,3-4,19-23H2,1-2H3
PubChem CID10185016
ChEMBLCHEMBL66387
IUPHARN/A
BindingDB50144227
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3486Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
3487Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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