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Ligand · N3C

N3C · 4-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-N-{[4-({(1R)-3-(dimethylamino)-1-[(phenylthio) methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide

N3C, 4-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-N-{[4-({(1R)-3-(dimethylamino)-1-[(phenylthio) methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide (C42 H45 Cl N6 O5 S2, 813.4 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
N3C
Formula
C42 H45 Cl N6 O5 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

N3C in 2 structures; the first of them:

  • 7JMT · Crystal structure of schistosome BCL-2 bound to ABT-737 · N3C A1001 · binds LEU58, ASP61, PHE62, PHE66, ILE99, LEU103, ASN108, GLY110 and 6 more
  • 7JMT · Crystal structure of schistosome BCL-2 bound to abt-737 · N3C A1001 · binds LEU58, ASP61, PHE62, PHE66, ILE99, LEU103, ASN108, GLY110 and 6 more

Residues it binds most

PHE 12, LEU 12, ALA 12, ILE 12, ARG 10, ASN 12, GLY 12, ASP 8, VAL 6, GLU 4 (residue and the binding sites it lines).

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