You can:
| Name | CHEMBL172506 |
|---|---|
| Molecular formula | C34H42N6O5 |
| IUPAC name | (2R)-2-[[2-[(1S)-1-(azepane-1-carbonylamino)-3-methylbutyl]-5-[(1-methylindol-3-yl)methyl]-1,3-oxazole-4-carbonyl]amino]-3-pyridin-2-ylpropanoic acid |
| Molecular weight | 614.747 |
| Hydrogen bond acceptor | 7 |
| Hydrogen bond donor | 3 |
| XlogP | 4.6 |
| Synonyms | (R)-2-{[2-{(S)-1-[(Azepane-1-carbonyl)-amino]-3-methyl-butyl}-5-(1-methyl-1H-indol-3-ylmethyl)-oxazole-4-carbonyl]-amino}-3-pyridin-2-yl-propionic acid BDBM50049982 |
| Inchi Key | AUUJKEHPADNLED-RRPNLBNLSA-N |
| Inchi ID | InChI=1S/C34H42N6O5/c1-22(2)18-26(37-34(44)40-16-10-4-5-11-17-40)32-38-30(31(41)36-27(33(42)43)20-24-12-8-9-15-35-24)29(45-32)19-23-21-39(3)28-14-7-6-13-25(23)28/h6-9,12-15,21-22,26-27H,4-5,10-11,16-20H2,1-3H3,(H,36,41)(H,37,44)(H,42,43)/t26-,27+/m0/s1 |
| PubChem CID | 10531851 |
| ChEMBL | CHEMBL172506 |
| IUPHAR | N/A |
| BindingDB | 50049982 |
| DrugBank | N/A |
Structure |  |
| Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
You can:
| GLASS ID | Name | UniProt | Gene | Species | Length |
|---|---|---|---|---|---|
| 14993 | Endothelin receptor type B | P35463 | EDNRB | Sus scrofa (Pig) | 443 |
| 14994 | Endothelin-1 receptor | P26684 | Ednra | Rattus norvegicus (Rat) | 426 |
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