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Name | CHEMBL2261361 |
---|---|
Molecular formula | C27H26N2O7S |
IUPAC name | (2S)-2-(1,3-benzodioxol-5-yl)-2-[6-(hydroxymethyl)-1-methylindol-3-yl]-N-(2-methoxy-4-methylphenyl)sulfonylacetamide |
Molecular weight | 522.572 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 3.3 |
Synonyms | N-[(S)-2-[1-Methyl-6-(hydroxymethyl)-1H-indole-3-yl]-2-(1,3-benzodioxole-5-yl)acetyl]-2-methoxy-4-methylbenzenesulfonamide |
Inchi Key | PGAMLYVKCIXYNX-SANMLTNESA-N |
Inchi ID | InChI=1S/C27H26N2O7S/c1-16-4-9-25(24(10-16)34-3)37(32,33)28-27(31)26(18-6-8-22-23(12-18)36-15-35-22)20-13-29(2)21-11-17(14-30)5-7-19(20)21/h4-13,26,30H,14-15H2,1-3H3,(H,28,31)/t26-/m0/s1 |
PubChem CID | 76312118 |
ChEMBL | CHEMBL2261361 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
258842 | Endothelin receptor type B | Q9N0W7 | EDNRB | Oryctolagus cuniculus (Rabbit) | 441 |
258844 | Endothelin receptor type B | P24530 | EDNRB | Homo sapiens (Human) | 442 |
258843 | Endothelin-1 receptor | P25101 | EDNRA | Homo sapiens (Human) | 427 |
451903 | Endothelin-1 receptor | P26684 | Ednra | Rattus norvegicus (Rat) | 426 |
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