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Ligand · KA8

KA8 · (2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-fluoranyl-pyrrolidine-2-carboxamide

KA8, (2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-fluoranyl-pyrrolidine-2-carboxamide (C21 H23 F N4 O, 366.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding…

Component
KA8
Formula
C21 H23 F N4 O
Class
ligand
Structures
1
PDB entries
1

Binding sites

KA8 in 1 structure; the first of them:

  • 6RNE · DPP1 in complex with inhibitor · KA8 B401 · binds ASP1, THR2, PRO3, GLN228, GLY232, SER233, CYS234, TYR235 and 8 more

Residues it binds most

GLY 1, PRO 1, ALA 1, ASN 1, ASP 1, CYS 1, GLN 1, GLU 1, HIS 1, PHE 1 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion
  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide
  • PEG · Di(hydroxyethyl)ether

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