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Name | MLS000662068 |
---|---|
Molecular formula | C16H15NO7S2 |
IUPAC name | benzyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate |
Molecular weight | 397.416 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 0 |
XlogP | 1.6 |
Synonyms | benzyl {[4-(methylsulfonyl)-2-nitrophenyl]sulfinyl}acetate 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid (phenylmethyl) ester SMR000292712 BDBM68106 HMS2595L16 [ Show all ] |
Inchi Key | HOPVGZYLIFZCOP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C16H15NO7S2/c1-26(22,23)13-7-8-15(14(9-13)17(19)20)25(21)11-16(18)24-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3 |
PubChem CID | 1189521 |
ChEMBL | CHEMBL1341008 |
IUPHAR | N/A |
BindingDB | 68106 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
120246 | C-C chemokine receptor type 6 | P51684 | CCR6 | Homo sapiens (Human) | 374 |
120248 | Glucagon-like peptide 1 receptor | P43220 | GLP1R | Homo sapiens (Human) | 463 |
120247 | Neuropeptide S receptor | Q6W5P4 | NPSR1 | Homo sapiens (Human) | 371 |
477726 | Parathyroid hormone/parathyroid hormone-related peptide receptor | Q03431 | PTH1R | Homo sapiens (Human) | 593 |
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