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

NameCHEMBL419272
Molecular formulaC25H24BrN3O
IUPAC name1-(3-bromophenyl)-8-(1,2-dihydroacenaphthylen-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one
Molecular weight462.391
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.1
Synonyms1-(3-Bromophenyl)-8-(acenaphthen-1-yl)-1,3,8-triazaspiro[4.5]decan-4-one
Inchi KeyAVSGXJXRFGUGTJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H24BrN3O/c26-19-7-3-8-20(15-19)29-16-27-24(30)25(29)10-12-28(13-11-25)22-14-18-6-1-4-17-5-2-9-21(22)23(17)18/h1-9,15,22H,10-14,16H2,(H,27,30)
PubChem CID15512238
ChEMBLCHEMBL419272
IUPHARN/A
BindingDBN/A
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
15596Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
15594Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
15593Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
15595Nociceptin receptorP41146OPRL1Homo sapiens (Human)370

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