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Ligand

NameMLS000080863
Molecular formulaC14H20N2O3S
IUPAC name(2S)-2-[(2,4-dimethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
Molecular weight296.385
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP2.3
SynonymsSMR000045900
(2S)-2-[(2,4-dimethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
AC1LDCU6
Opera_ID_1681
cid_664998
[ Show all ]
Inchi KeyAAOBSPUWTDJXRC-LBPRGKRZSA-N
Inchi IDInChI=1S/C14H20N2O3S/c1-9-4-5-11(10(2)8-9)15-14(19)16-12(13(17)18)6-7-20-3/h4-5,8,12H,6-7H2,1-3H3,(H,17,18)(H2,15,16,19)/t12-/m0/s1
PubChem CID664998
ChEMBLN/A
IUPHARN/A
BindingDB30780
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
3765-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422

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