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

NameCHEMBL346016
Molecular formulaC11H15NS
IUPAC name5,7,8,9,10,10a-hexahydro-4H-thieno[2,3-a]quinolizine
Molecular weight193.308
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP2.4
Synonyms112114-08-6
5H-Thieno[2,3-a]quinolizine, 4,7,8,9,10,10a-hexahydro-
4,7,8,9,10,10a-Hexahydro-5H-thieno[2,3-a]quinolizine
BDBM50018741
Inchi KeyJDQPKNAZHYFPQE-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H15NS/c1-2-6-12-7-4-9-5-8-13-11(9)10(12)3-1/h5,8,10H,1-4,6-7H2
PubChem CID14004039
ChEMBLCHEMBL346016
IUPHARN/A
BindingDB50018741
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
148418Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
148419Alpha-2A adrenergic receptorQ28838ADRA2ABos taurus (Bovine)452

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417