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Name | CHEMBL335126 |
---|---|
Molecular formula | C28H36N6O10 |
IUPAC name | 2-[(2S,5R,8S,11R,14S)-8-(carboxymethyl)-5-(hydroxymethyl)-14-(1H-indol-3-ylmethyl)-11-(2-methylpropyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid |
Molecular weight | 616.628 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 9 |
XlogP | -0.5 |
Synonyms | BDBM50407620 |
Inchi Key | HAJUVHWNUVCXEM-NXNFSMPISA-N |
Inchi ID | InChI=1S/C28H36N6O10/c1-13(2)7-17-24(40)31-18(8-14-11-29-16-6-4-3-5-15(14)16)25(41)32-20(10-23(38)39)27(43)34-21(12-35)28(44)33-19(9-22(36)37)26(42)30-17/h3-6,11,13,17-21,29,35H,7-10,12H2,1-2H3,(H,30,42)(H,31,40)(H,32,41)(H,33,44)(H,34,43)(H,36,37)(H,38,39)/t17-,18+,19+,20+,21-/m1/s1 |
PubChem CID | 44357159 |
ChEMBL | CHEMBL335126 |
IUPHAR | N/A |
BindingDB | 50407620 |
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 |
---|---|---|---|---|---|
109914 | Endothelin-1 receptor | Q29010 | EDNRA | Sus scrofa (Pig) | 427 |
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