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Name | CHEMBL287141 |
---|---|
Molecular formula | C26H38N4O5 |
IUPAC name | 3-[[(2R)-2-[[(2S)-2-(3,3-dimethylbutanoylamino)-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoic acid |
Molecular weight | 486.613 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 5 |
XlogP | 2.7 |
Synonyms | BDBM50284694 3-[(S)-2-[(S)-2-(3,3-Dimethyl-butyrylamino)-4-methyl-pentanoylamino]-3-(1H-indol-3-yl)-propionylamino]-propionic acid |
Inchi Key | FPBJOZMOCINLDR-LEWJYISDSA-N |
Inchi ID | InChI=1S/C26H38N4O5/c1-16(2)12-20(29-22(31)14-26(3,4)5)25(35)30-21(24(34)27-11-10-23(32)33)13-17-15-28-19-9-7-6-8-18(17)19/h6-9,15-16,20-21,28H,10-14H2,1-5H3,(H,27,34)(H,29,31)(H,30,35)(H,32,33)/t20-,21+/m0/s1 |
PubChem CID | 44279251 |
ChEMBL | CHEMBL287141 |
IUPHAR | N/A |
BindingDB | 50284694 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
83823 | Endothelin-1 receptor | Q29010 | EDNRA | Sus scrofa (Pig) | 427 |
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