You can:
| Name | CHEMBL77853 |
|---|---|
| Molecular formula | C30H42BrN5O5 |
| IUPAC name | 2-[[(2R)-3-(2-bromo-1H-indol-3-yl)-2-[[2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]pent-4-enoic acid |
| Molecular weight | 632.6 |
| Hydrogen bond acceptor | 5 |
| Hydrogen bond donor | 5 |
| XlogP | 5.6 |
| Synonyms | 2-((R)-3-(2-Bromo-1H-indol-3-yl)-2-{2-[((2S,6R)-2,6-dimethyl-piperidine-1-carbonyl)-amino]-4-methyl-pentanoylamino}-propionylamino)-pent-4-enoic acid BDBM50051409 |
| Inchi Key | BQRZRKOEVGKWNZ-GXVKRBOLSA-N |
| Inchi ID | InChI=1S/C30H42BrN5O5/c1-6-10-23(29(39)40)33-28(38)25(16-21-20-13-7-8-14-22(20)32-26(21)31)34-27(37)24(15-17(2)3)35-30(41)36-18(4)11-9-12-19(36)5/h6-8,13-14,17-19,23-25,32H,1,9-12,15-16H2,2-5H3,(H,33,38)(H,34,37)(H,35,41)(H,39,40)/t18-,19+,23?,24?,25-/m1/s1 |
| PubChem CID | 44314659 |
| ChEMBL | CHEMBL77853 |
| IUPHAR | N/A |
| BindingDB | 50051409 |
| 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 |
|---|---|---|---|---|---|
| 30606 | Endothelin receptor type B | P35463 | EDNRB | Sus scrofa (Pig) | 443 |
| 30605 | Endothelin-1 receptor | Q29010 | EDNRA | Sus scrofa (Pig) | 427 |
zhanglab
zhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417