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

NameCHEMBL540064
Molecular formulaC28H40ClFN2O3
IUPAC name8-[4-[[(2S)-8-acetyl-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
Molecular weight507.087
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogPNone
SynonymsN/A
Inchi KeyABISYNUPIBFUQK-BOXHHOBZSA-N
Inchi IDInChI=1S/C28H39FN2O3.ClH/c1-3-14-30(21-8-9-23-24(17-21)22(20(2)32)10-11-25(23)29)15-6-7-16-31-26(33)18-28(19-27(31)34)12-4-5-13-28;/h10-11,21H,3-9,12-19H2,1-2H3;1H/t21-;/m0./s1
PubChem CID45265083
ChEMBLCHEMBL540064
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8915-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422

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