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Ligand · 1I2

1I2 · N-[2-(2-adamantylamino)ethyl]-1-[2,4-bis(fluoranyl) phenyl]-5-(4-chlorophenyl)-4-methyl-pyrazole-3-carboxamide

1I2, N-[2-(2-adamantylamino)ethyl]-1-[2,4-bis(fluoranyl) phenyl]-5-(4-chlorophenyl)-4-methyl-pyrazole-3-carboxamide (C29 H31 Cl F2 N4 O, 525.0 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding…

Component
1I2
Formula
C29 H31 Cl F2 N4 O
Class
ligand
Structures
1
PDB entries
1

Binding sites

1I2 in 1 structure; the first of them:

  • 7WNX · Cryo-EM structure of mycobacterium smegmatis MMPL3 complexed with ST004 in lipid nanodiscs · 1I2 A1101 · binds VAL245, LEU248, ILE249, GLY252, ILE253, ASP256, TYR257, PHE260 and 11 more

Residues it binds most

LEU 1, ILE 1, VAL 1, ASP 1, PHE 1, TYR 1, ALA 1, GLY 1, SER 1 (residue and the binding sites it lines).

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