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Ligand · C2W

C2W · (3~{S})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-8-methoxy-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(20),6(11),7,9,18,21-hexaene-3-carboxamide

C2W, (3~{S})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-8-methoxy-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(20),6(11),7,9,18,21-hexaene-3-carboxamide (C25 H26 Cl N3 O5, 483.9 g/mol), in the MolNFT structures on…

Component
C2W
Formula
C25 H26 Cl N3 O5
Class
ligand
Structures
1
PDB entries
1

Binding sites

C2W in 1 structure; the first of them:

  • 6EXQ · Crystal Structure of Rhodesain in complex with a Macrolactam Inhibitor · C2W A302 · binds GLN19, GLY23, CYS25, TRP26, ILE59, ASP60, PHE61, GLY64 and 11 more

Residues it binds most

GLY 2, ASP 2, LEU 2, ALA 2, CYS 2, ASN 2, GLN 2, HIS 2, ILE 2, MET 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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