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Ligand

NameBDBM50060603
Molecular formulaC14H18N4O4S
IUPAC name(3S,7aR)-6-[(8aS)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-5-oxo-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]thiazole-3-carboxamide
Molecular weight338.382
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP-1.2
Synonyms(3S,7aR)-6-((2R,8aS)-1,4-Dioxo-hexahydro-pyrrolo[1,2-a]pyrazin-2-yl)-5-oxo-hexahydro-pyrrolo[2,1-b]thiazole-3-carboxylic acid amide
Inchi KeyCKWXMNDKAZLYMW-DUFLWWROSA-N
Inchi IDInChI=1S/C14H18N4O4S/c15-12(20)9-6-23-11-4-8(14(22)18(9)11)17-5-10(19)16-3-1-2-7(16)13(17)21/h7-9,11H,1-6H2,(H2,15,20)/t7-,8?,9+,11+/m0/s1
PubChem CID44346094
ChEMBLN/A
IUPHARN/A
BindingDB50060603
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
44476D(2) dopamine receptorP20288DRD2Bos taurus (Bovine)444

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