Covpdb









Ligand
Ligand Name:   KPT8602
Ligand Type:   non-polymer
Ligand ID:   COVPDB319 PubChem:   117763569
Synonym(s):  
  •   eltanexor z-isomer
  • kpt-8602 (z-isomer)
  • unii-6t69tu098i
  • 6t69tu098i
  • 1642300-78-4
  • eltanexor, (z)-
  • schembl16323699
  • schembl16323700
  • cs-5983
  • hy-100423a
  • sb19837
  • (2z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1h-1,2,4-triazol-1-yl)-2-(pyrimidin-5-yl)prop-2-enamide
  • (z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1h-1,2,4-triazol-1-yl)-2-(pyrimidin-5-yl)acrylamide
  • 5-pyrimidineacetamide, alpha-((3-(3,5-bis(trifluoromethyl)phenyl)-1h-1,2,4-triazol-1-yl)methylene)-, (alphaz)-
show 13 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   c1ncncc1/C(C(=O)N)=C/n2cnc(n2)-c3cc(C(F)(F)F)cc(c3)C(F)(F)F
Standard InChI:   InChI=1S/C17H10F6N6O/c18-16(19,20)11-1-9(2-12(3-11)17(21,22)23)15-27-8-29(28-15)6-13(14(24)30)10-4-25-7-26-5-10/h1-8H,(H2,24,30)/b13-6-
Molecular Formula:   C17H10F6N6O Mol. Weight:   428.08203 logP:   3.2561
HBD:   1 HBA:   6
#Rotatable Bonds:   4 TPSA:   99.58

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) 5JLJ 6L8
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