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Ligand

NameSMR000059935
Molecular formulaC13H14F3NO4
IUPAC namemethyl 3-benzyl-4,4,4-trifluoro-2-formamido-3-hydroxybutanoate
Molecular weight305.253
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP1.8
SynonymsAC1MHCYK
HMS2347A10
SR-01000025394-1
BDBM43565
methyl 4,4,4-tris(fluoranyl)-2-formamido-3-oxidanyl-3-(phenylmethyl)butanoate
[ Show all ]
Inchi KeyABMFGIMJEWDYRN-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H14F3NO4/c1-21-11(19)10(17-8-18)12(20,13(14,15)16)7-9-5-3-2-4-6-9/h2-6,8,10,20H,7H2,1H3,(H,17,18)
PubChem CID3000098
ChEMBLCHEMBL1584884
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
954Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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