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

Namespiropiperidine analogue, 70
Molecular formulaC29H39ClN4O
IUPAC name3-[2-(butylamino)ethyl]-8-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Molecular weight495.108
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.6
SynonymsBDBM26952
3-[2-(butylamino)ethyl]-8-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CHEMBL516187
Inchi KeyBEBLFDYTZHKBFQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H39ClN4O/c1-2-3-16-31-17-20-33-22-34(25-9-5-4-6-10-25)29(28(33)35)14-18-32(19-15-29)27-11-7-8-23-12-13-24(30)21-26(23)27/h4-6,9-10,12-13,21,27,31H,2-3,7-8,11,14-20,22H2,1H3
PubChem CID25190627
ChEMBLCHEMBL516187
IUPHARN/A
BindingDB26952
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
21418Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
21421Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
21419Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
21420Nociceptin receptorP41146OPRL1Homo sapiens (Human)370

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