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

NameCHEMBL3819567
Molecular formulaC24H28N4OS
IUPAC name8-[4-(1,3-benzothiazol-2-yl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Molecular weight420.575
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50183265
Inchi KeyAVKICTLBRHZUTM-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)
PubChem CID127051516
ChEMBLCHEMBL3819567
IUPHARN/A
BindingDB50183265
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5219085-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
5219155-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5219095-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
5219145-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
5219115-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
521912D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
521913D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
521907D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
521910Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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