Ligand
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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Exportin-1 P30822 (XPO1_YEAST) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) 4HAX RJA
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SHOW