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Name | CHEMBL41087 |
---|---|
Molecular formula | C24H20O6 |
IUPAC name | (1S,2R,3R)-1-(1,3-benzodioxol-5-yl)-5-hydroxy-3-(4-methoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid |
Molecular weight | 404.418 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 4.1 |
Synonyms | (1S,2S,3R)-1-Benzo[1,3]dioxol-5-yl-5-hydroxy-3-(4-methoxy-phenyl)-indan-2-carboxylic acid BDBM50041622 |
Inchi Key | BJSXTKDRYZUWEL-VJBWXMMDSA-N |
Inchi ID | InChI=1S/C24H20O6/c1-28-16-6-2-13(3-7-16)21-18-11-15(25)5-8-17(18)22(23(21)24(26)27)14-4-9-19-20(10-14)30-12-29-19/h2-11,21-23,25H,12H2,1H3,(H,26,27)/t21-,22+,23+/m1/s1 |
PubChem CID | 10453858 |
ChEMBL | CHEMBL41087 |
IUPHAR | N/A |
BindingDB | 50041622 |
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 |
---|---|---|---|---|---|
25430 | Endothelin receptor type B | P21451 | Ednrb | Rattus norvegicus (Rat) | 442 |
25432 | Endothelin receptor type B | P24530 | EDNRB | Homo sapiens (Human) | 442 |
25431 | Endothelin-1 receptor | P25101 | EDNRA | Homo sapiens (Human) | 427 |
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