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| Name | CHEMBL335143 |
|---|---|
| Molecular formula | C29H40N6O7 |
| IUPAC name | 2-[(2S,5R,8S,11R,14S)-14-(1H-indol-3-ylmethyl)-5-methyl-11-(2-methylpropyl)-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid |
| Molecular weight | 584.674 |
| Hydrogen bond acceptor | 7 |
| Hydrogen bond donor | 7 |
| XlogP | 1.9 |
| Synonyms | BDBM50407594 |
| Inchi Key | GBGNTWNIJJNICS-QPWVLVGYSA-N |
| Inchi ID | InChI=1S/C29H40N6O7/c1-14(2)10-20-27(40)32-21(11-17-13-30-19-9-7-6-8-18(17)19)28(41)33-22(12-23(36)37)26(39)31-16(5)25(38)35-24(15(3)4)29(42)34-20/h6-9,13-16,20-22,24,30H,10-12H2,1-5H3,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,38)(H,36,37)/t16-,20-,21+,22+,24+/m1/s1 |
| PubChem CID | 44357104 |
| ChEMBL | CHEMBL335143 |
| IUPHAR | N/A |
| BindingDB | 50407594 |
| 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 |
|---|---|---|---|---|---|
| 92290 | Endothelin-1 receptor | Q29010 | EDNRA | Sus scrofa (Pig) | 427 |
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