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Ligand

NameAC1MCZAK
Molecular formulaC8H16NO4PS2
IUPAC name2-[[2-[ethoxy(methyl)phosphinothioyl]sulfanylacetyl]amino]propanoic acid
Molecular weight285.313
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP1.3
SynonymsSMR000054667
CBMicro_049640
MLS000104734
CHEMBL1594711
MolPort-002-131-539
[ Show all ]
Inchi KeyAEKMYNBLUOOBNJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C8H16NO4PS2/c1-4-13-14(3,15)16-5-7(10)9-6(2)8(11)12/h6H,4-5H2,1-3H3,(H,9,10)(H,11,12)
PubChem CID2828360
ChEMBLCHEMBL1594711
IUPHARN/A
BindingDBN/A
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
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GLASS IDNameUniProtGeneSpeciesLength
3562Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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