Ligand |
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Ligand Name: Ratjadone A | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB1281 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: C/C=C/[C@H]1[C@@H](C)[C@@H](O)C[C@H](O1)[C@@H](O)/C=C/C=C(\C)C[C@H](C)/C=C(\C)/C=C/[C@H]2CC=CC(=O)O2 | ||
Standard InChI: InChI=1S/C28H40O5/c1-6-9-26-22(5)25(30)18-27(33-26)24(29)12-7-10-19(2)16-21(4)17-20(3)14-15-23-11-8-13-28(31)32-23/h6-10,12-15,17,21-27,29-30H,11,16,18H2,1-5H3/b9-6+,12-7+,15-14+,19-10+,20-17+/t21-,22-,23+,24-,25-,26-,27-/m0/s1 | ||
Molecular Formula: C28H40O5 | Mol. Weight: 456.28757 | logP: 4.9808 |
HBD: 2 | HBA: 5 | |
#Rotatable Bonds: 9 | TPSA: 75.99 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Exportin-1 | P30822 (XPO1_YEAST) | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) | 4HAU | RJA |
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- |
SHOW |
Exportin-1 | P30822 (XPO1_YEAST) | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) | 4HAX | RJA |
- |
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SHOW |