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| Name | CHEMBL308621 |
|---|---|
| Molecular formula | C32H45N7O5 |
| IUPAC name | 2-[[(2R)-2-[[2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid |
| Molecular weight | 607.756 |
| Hydrogen bond acceptor | 6 |
| Hydrogen bond donor | 6 |
| XlogP | 4.0 |
| Synonyms | 2-[(R)-2-{2-[((2S,6R)-2,6-Dimethyl-piperidine-1-carbonyl)-amino]-4-methyl-pentanoylamino}-3-(2-methyl-1H-indol-3-yl)-propionylamino]-3-(1H-imidazol-4-yl)-propionic acid BDBM50051411 |
| Inchi Key | BGEFPQTXZJNKSN-NYTDMIIGSA-N |
| Inchi ID | InChI=1S/C32H45N7O5/c1-18(2)13-26(38-32(44)39-19(3)9-8-10-20(39)4)29(40)36-27(15-24-21(5)35-25-12-7-6-11-23(24)25)30(41)37-28(31(42)43)14-22-16-33-17-34-22/h6-7,11-12,16-20,26-28,35H,8-10,13-15H2,1-5H3,(H,33,34)(H,36,40)(H,37,41)(H,38,44)(H,42,43)/t19-,20+,26?,27-,28?/m1/s1 |
| PubChem CID | 44314906 |
| ChEMBL | CHEMBL308621 |
| IUPHAR | N/A |
| BindingDB | 50051411 |
| DrugBank | N/A |
Structure |  |
| Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
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| GLASS ID | Name | UniProt | Gene | Species | Length |
|---|---|---|---|---|---|
| 22904 | Endothelin receptor type B | P35463 | EDNRB | Sus scrofa (Pig) | 443 |
| 22903 | Endothelin-1 receptor | Q29010 | EDNRA | Sus scrofa (Pig) | 427 |
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