You can:
| Name | CHEMBL172543 |
|---|---|
| Molecular formula | C33H40N6O5 |
| IUPAC name | (2R)-2-[[2-[(1S)-1-(azepane-1-carbonylamino)-3-methylbutyl]-5-(1-methylindol-3-yl)-1,3-oxazole-4-carbonyl]amino]-3-pyridin-2-ylpropanoic acid |
| Molecular weight | 600.72 |
| Hydrogen bond acceptor | 7 |
| Hydrogen bond donor | 3 |
| XlogP | 4.3 |
| Synonyms | BDBM50049984 (R)-2-{[2-{(S)-1-[(Azepane-1-carbonyl)-amino]-3-methyl-butyl}-5-(1-methyl-1H-indol-3-yl)-oxazole-4-carbonyl]-amino}-3-pyridin-2-yl-propionic acid |
| Inchi Key | ASXATNKZOAJLHC-IZZNHLLZSA-N |
| Inchi ID | InChI=1S/C33H40N6O5/c1-21(2)18-25(36-33(43)39-16-10-4-5-11-17-39)31-37-28(29(44-31)24-20-38(3)27-14-7-6-13-23(24)27)30(40)35-26(32(41)42)19-22-12-8-9-15-34-22/h6-9,12-15,20-21,25-26H,4-5,10-11,16-19H2,1-3H3,(H,35,40)(H,36,43)(H,41,42)/t25-,26+/m0/s1 |
| PubChem CID | 10675093 |
| ChEMBL | CHEMBL172543 |
| IUPHAR | N/A |
| BindingDB | 50049984 |
| DrugBank | N/A |
Structure |  |
| Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
You can:
| GLASS ID | Name | UniProt | Gene | Species | Length |
|---|---|---|---|---|---|
| 13612 | Endothelin receptor type B | P35463 | EDNRB | Sus scrofa (Pig) | 443 |
| 13611 | Endothelin-1 receptor | P26684 | Ednra | Rattus norvegicus (Rat) | 426 |
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