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Name | SMR000066633 |
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Molecular formula | C16H14N2O4S3 |
IUPAC name | N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide |
Molecular weight | 394.478 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 3.5 |
Synonyms | HMS3556E04 SR-01000052357 AKOS000953046 MLS000864014 ZINC2643404 [ Show all ] |
Inchi Key | AFXACOWZTDHDGP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C16H14N2O4S3/c1-23-16-17-12-4-2-10(8-15(12)24-16)18-25(19,20)11-3-5-13-14(9-11)22-7-6-21-13/h2-5,8-9,18H,6-7H2,1H3 |
PubChem CID | 2106213 |
ChEMBL | CHEMBL1567815 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
4584 | Thyrotropin receptor | P16473 | TSHR | Homo sapiens (Human) | 764 |
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