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Ligand · S72

S72 · 1-benzyl-N-[cis-4-(2-{[(4-fluorophenyl)methyl][2-(methylamino)-2-oxoethyl]amino}-2-oxoethyl)cyclohexyl]-5-methyl-1H-1,2,3-triazole-4-carboxamide

S72, 1-benzyl-N-[cis-4-(2-{[(4-fluorophenyl)methyl][2-(methylamino)-2-oxoethyl]amino}-2-oxoethyl)cyclohexyl]-5-methyl-1H-1,2,3-triazole-4-carboxamide (C29 H35 F N6 O3, 534.6 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record…

Component
S72
Formula
C29 H35 F N6 O3
Class
ligand
Structures
1
PDB entries
1

Binding sites

S72 in 1 structure; the first of them:

  • 5G0T · InhA in complex with a DNA encoded library hit · S72 A1271 · binds GLY96, PHE97, MET98, GLN100, MET103, PHE149, MET155, PRO156 and 6 more

Residues it binds most

MET 4, PRO 4, PHE 4, GLY 4, LEU 4, TYR 4, ALA 3, GLN 2, ILE 2, LYS 2 (residue and the binding sites it lines).

Found with

  • NAD · Nicotinamide-adenine-dinucleotide

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