GL1X · GenesisL1 explorer

Ligand · C3E

C3E · (3~{S},14~{E})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide

C3E, (3~{S},14~{E})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide (C24 H22 Cl N3 O4, 451.9 g/mol), in the MolNFT structures on…

Component
C3E
Formula
C24 H22 Cl N3 O4
Class
ligand
Structures
2
PDB entries
2

Binding sites

C3E in 2 structures; the first of them:

  • 6EXO · Crystal Structure of Rhodesain in complex with a Macrolactam Inhibitor · C3E A304 · binds GLN19, CYS22, GLY23, SER24, CSX25, TRP26, PHE61, CYS63 and 11 more
  • 6EZP · CATHEPSIN L IN COMPLEX WITH (3S,14E)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-12,17-dioxa-4… · C3E A301 · binds GLN19, GLY23, SER24, CYS25, TRP26, ASN66, GLY67, GLY68 and 9 more

Residues it binds most

GLY 3, ALA 3, LEU 3, MET 3, ASP 3, CYS 2, GLN 3, HIS 3, SER 3, TRP 3 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • GOL · Glycerol

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.