You can:
| Name | CHEMBL309213 |
|---|---|
| Molecular formula | C38H47N11O5 |
| IUPAC name | (2R)-N-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-[[(2S)-2-(butylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanamide |
| Molecular weight | 737.866 |
| Hydrogen bond acceptor | 8 |
| Hydrogen bond donor | 9 |
| XlogP | 1.5 |
| Synonyms | BDBM50116870 (S)-2-Butylamino-N-{(R)-1-[(S)-1-[(S)-1-(carbamoylmethyl-carbamoyl)-2-(1H-indol-3-yl)-ethylcarbamoyl]-2-(3H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-3-(3H-imidazol-4-yl)-propionamide |
| Inchi Key | BYYGKIBKXHSGBW-YGXYGYJOSA-N |
| Inchi ID | InChI=1S/C38H47N11O5/c1-2-3-13-42-30(16-26-19-40-22-45-26)36(52)47-31(14-24-9-5-4-6-10-24)37(53)49-33(17-27-20-41-23-46-27)38(54)48-32(35(51)44-21-34(39)50)15-25-18-43-29-12-8-7-11-28(25)29/h4-12,18-20,22-23,30-33,42-43H,2-3,13-17,21H2,1H3,(H2,39,50)(H,40,45)(H,41,46)(H,44,51)(H,47,52)(H,48,54)(H,49,53)/t30-,31+,32-,33-/m0/s1 |
| PubChem CID | 44317053 |
| ChEMBL | CHEMBL309213 |
| IUPHAR | N/A |
| BindingDB | 50116870 |
| DrugBank | N/A |
Structure |  |
| Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
You can:
| GLASS ID | Name | UniProt | Gene | Species | Length |
|---|---|---|---|---|---|
| 36194 | Melanocortin receptor 4 | P32245 | MC4R | Homo sapiens (Human) | 332 |
| 36195 | Melanocyte-stimulating hormone receptor | Q01726 | MC1R | Homo sapiens (Human) | 317 |
zhanglab
zhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417