You can:
| Name | CHEMBL308403 |
|---|---|
| Molecular formula | C30H44BrN5O5S |
| IUPAC name | 2-[[(2R)-3-(2-bromo-1H-indol-3-yl)-2-[[2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoic acid |
| Molecular weight | 666.676 |
| Hydrogen bond acceptor | 6 |
| Hydrogen bond donor | 5 |
| XlogP | 5.5 |
| Synonyms | BDBM50051425 2-((R)-3-(2-Bromo-1H-indol-3-yl)-2-{2-[((2S,6R)-2,6-dimethyl-piperidine-1-carbonyl)-amino]-4-methyl-pentanoylamino}-propionylamino)-4-methylsulfanyl-butyric acid |
| Inchi Key | HAWAUWMOUCWAIP-GXVKRBOLSA-N |
| Inchi ID | InChI=1S/C30H44BrN5O5S/c1-17(2)15-24(35-30(41)36-18(3)9-8-10-19(36)4)27(37)34-25(28(38)33-23(29(39)40)13-14-42-5)16-21-20-11-6-7-12-22(20)32-26(21)31/h6-7,11-12,17-19,23-25,32H,8-10,13-16H2,1-5H3,(H,33,38)(H,34,37)(H,35,41)(H,39,40)/t18-,19+,23?,24?,25-/m1/s1 |
| PubChem CID | 44315009 |
| ChEMBL | CHEMBL308403 |
| IUPHAR | N/A |
| BindingDB | 50051425 |
| 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. |
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| GLASS ID | Name | UniProt | Gene | Species | Length |
|---|---|---|---|---|---|
| 110204 | Endothelin receptor type B | P35463 | EDNRB | Sus scrofa (Pig) | 443 |
| 110205 | Endothelin-1 receptor | Q29010 | EDNRA | Sus scrofa (Pig) | 427 |
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