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

Name7,7-Dimethyl-2-morpholin-4-yl-5,6,7,8-tetrahydro-thiazolo[5,4-c]azepin-4-one
Molecular formulaC13H19N3O2S
IUPAC name7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one
Molecular weight281.374
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.9
SynonymsOprea1_606396
7,7-dimethyl-2-(morpholin-4-yl)-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-c]azepin-4-one
CHEMBL1381989
MLS000027619
SMR000040091
[ Show all ]
Inchi KeyAGBPAAIJQBXSJG-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H19N3O2S/c1-13(2)7-9-10(11(17)14-8-13)19-12(15-9)16-3-5-18-6-4-16/h3-8H2,1-2H3,(H,14,17)
PubChem CID624590
ChEMBLCHEMBL1381989
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
463462Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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