Ligand |
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Ligand Name: KPT-251 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB245 | PubChem: 88761269 | |
Synonym(s):
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DrugBank: - | ChEMBL: - | |
Canonical SMILES: FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c2ncn(n2)/C=C/c3nnco3 | ||
Standard InChI: InChI=1S/C14H7F6N5O/c15-13(16,17)9-3-8(4-10(5-9)14(18,19)20)12-21-6-25(24-12)2-1-11-23-22-7-26-11/h1-7H/b2-1+ | ||
Molecular Formula: C14H7F6N5O | Mol. Weight: 375.05548 | logP: 3.9936 |
HBD: 0 | HBA: 6 | |
#Rotatable Bonds: 3 | TPSA: 69.63 |
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) | 4GPT | 51K |
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