You can:
| Name | CHEMBL77033 |
|---|---|
| Molecular formula | C30H44BrN5O5 |
| IUPAC name | 2-[[(2R)-2-[[2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-3-(2-bromo-1H-indol-3-yl)propanoyl]amino]hexanoic acid |
| Molecular weight | 634.616 |
| Hydrogen bond acceptor | 5 |
| Hydrogen bond donor | 5 |
| XlogP | 5.7 |
| Synonyms | 2-[(R)-2-{2-[(Azepane-1-carbonyl)-amino]-4-methyl-pentanoylamino}-3-(2-bromo-1H-indol-3-yl)-propionylamino]-hexanoic acid BDBM50051419 |
| Inchi Key | CZISURJVGQTBNK-DDJHWDJXSA-N |
| Inchi ID | InChI=1S/C30H44BrN5O5/c1-4-5-13-23(29(39)40)33-28(38)25(18-21-20-12-8-9-14-22(20)32-26(21)31)34-27(37)24(17-19(2)3)35-30(41)36-15-10-6-7-11-16-36/h8-9,12,14,19,23-25,32H,4-7,10-11,13,15-18H2,1-3H3,(H,33,38)(H,34,37)(H,35,41)(H,39,40)/t23?,24?,25-/m1/s1 |
| PubChem CID | 44314646 |
| ChEMBL | CHEMBL77033 |
| IUPHAR | N/A |
| BindingDB | 50051419 |
| DrugBank | N/A |
Structure |  |
| Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
You can:
| GLASS ID | Name | UniProt | Gene | Species | Length |
|---|---|---|---|---|---|
| 54344 | Endothelin receptor type B | P35463 | EDNRB | Sus scrofa (Pig) | 443 |
| 54343 | Endothelin-1 receptor | Q29010 | EDNRA | Sus scrofa (Pig) | 427 |
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