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Name | MLS000080860 |
---|---|
Molecular formula | C16H16O5S2 |
IUPAC name | (Z)-3,4-bis(benzenesulfonyl)but-2-en-1-ol |
Molecular weight | 352.419 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 1.4 |
Synonyms | (Z)-3,4-bis(phenylsulfonyl)but-2-en-1-ol HMS2394J10 AC1NTW5P (Z)-3,4-bis(benzenesulfonyl)-2-buten-1-ol CHEMBL1465527 [ Show all ] |
Inchi Key | AIAKDUWZCKEZRU-WJDWOHSUSA-N |
Inchi ID | InChI=1S/C16H16O5S2/c17-12-11-16(23(20,21)15-9-5-2-6-10-15)13-22(18,19)14-7-3-1-4-8-14/h1-11,17H,12-13H2/b16-11- |
PubChem CID | 5389617 |
ChEMBL | CHEMBL1465527 |
IUPHAR | N/A |
BindingDB | 36923 |
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 |
---|---|---|---|---|---|
6042 | Sphingosine 1-phosphate receptor 1 | P21453 | S1PR1 | Homo sapiens (Human) | 382 |
6040 | Sphingosine 1-phosphate receptor 2 | O95136 | S1PR2 | Homo sapiens (Human) | 353 |
6041 | Thyrotropin receptor | P16473 | TSHR | Homo sapiens (Human) | 764 |
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