Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER D-I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK D-QUARK DRfold DRfold2 LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO ATGO 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 TCRfinder

TM-score TM-align US-align MM-align RNA-align NW-align LS-align TM-search EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA DeepMSA2 rMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP HPmod 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

NameMLS000106678
Molecular formulaC11H12N2OS
IUPAC name4-methoxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Molecular weight220.29
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.1
Synonyms40277-31-4
CHEMBL1423515
ZINC116423
4-methoxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
AKOS000281631
[ Show all ]
Inchi KeyAPMNRWQWJSNFBB-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H12N2OS/c1-14-10-9-7-4-2-3-5-8(7)15-11(9)13-6-12-10/h6H,2-5H2,1H3
PubChem CID717679
ChEMBLCHEMBL1423515
IUPHARN/A
BindingDB49117
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
11128D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
464242Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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