Ligand
Ligand Name:   KPT-251
Ligand Type:   non-polymer
Ligand ID:   COVPDB245 PubChem:   88761269
Synonym(s):  
  •   schembl11318209
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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