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Ligand · 8SE

8SE · (3~{S},7~{R},10~{R},13~{S})-4-[[(3~{S},7~{R},10~{R}, 13~{S})-4-[(2~{S})-2-acetamido-3-(2-chlorophenyl) propanoyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-en-13-yl]carbonyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid

8SE, (3~{S},7~{R},10~{R},13~{S})-4-[[(3~{S},7~{R},10~{R}, 13~{S})-4-[(2~{S})-2-acetamido-3-(2-chlorophenyl) propanoyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-en-13-yl]carbonyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3…

Component
8SE
Formula
C35 H40 Cl N5 O7
Class
ligand
Structures
2
PDB entries
1

Binding sites

8SE in 2 structures; the first of them:

  • 5NAJ · ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-1]-[ProM-1]-OH · 8SE A201 · binds MET14, TYR16, TRP23, LYS69, ASN71, THR74, PHE77, GLN79 and 3 more
  • 5NAJ · Enah EVH1 in complex with ac-[2-cl-F]-[prom-1]-[prom-1]-oh · 8SE A201 · binds MET14, TYR16, TRP23, LYS69, ASN71, THR74, PHE77, GLN79 and 3 more

Residues it binds most

ASN 8, GLN 8, THR 8, LYS 8, ARG 8, MET 8, PHE 8, TRP 8, TYR 8, VAL 8 (residue and the binding sites it lines).

Found with

  • 8SB · (3~{S},7~{R},10~{R},13~{S})-4-[[(3~{R},7~{S},10~{S}, 13~{R})-4-[(2~{S})-2-acetamido-3-(2-chlorophenyl) propanoyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-en-13-yl]carbonyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
  • CL · Chloride ion
  • SO4 · Sulfate ion

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