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Ligand · C4T

C4T · ~{N}-[(4-chlorophenyl)methyl]-~{N}-methyl-6-oxidanyl-3-(phenylmethyl)-1~{H}-indazole-5-carboxamide

C4T, ~{N}-[(4-chlorophenyl)methyl]-~{N}-methyl-6-oxidanyl-3-(phenylmethyl)-1~{H}-indazole-5-carboxamide (C23 H20 Cl N3 O2, 405.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
C4T
Formula
C23 H20 Cl N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

C4T in 2 structures; the first of them:

  • 6EY8 · Estimation of relative drug-target residence times by random acceleration molecular… · C4T A302 · binds LEU48, ASN51, SER52, ALA55, ASP93, ILE96, GLY97, MET98 and 9 more
  • 6EY8 · Estimation of relative drug-target residence times by random acceleration molecular… · C4T A302 · binds LEU48, ASN51, SER52, ALA55, ASP93, ILE96, GLY97, MET98 and 7 more

Residues it binds most

LEU 2, VAL 2, GLY 2, THR 2, ALA 2, ASN 2, ASP 2, ILE 2, MET 2, PHE 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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