GL1X · GenesisL1 explorer

Ligand · RWX

RWX · 2-[(3S,4R)-4-[(3-bromanyl-4-chloranyl-5-methyl-1H-pyrrol-2-yl)carbonylamino]-3-methoxy-piperidin-1-yl]-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylic acid

RWX, 2-[(3S,4R)-4-[(3-bromanyl-4-chloranyl-5-methyl-1H-pyrrol-2-yl)carbonylamino]-3-methoxy-piperidin-1-yl]-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylic acid (C19 H21 Br Cl N7 O4 S, 558.8 g/mol), in the MolNFT structures on…

Component
RWX
Formula
C19 H21 Br Cl N7 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

RWX in 2 structures; the first of them:

  • 4BAE · Optimisation of pyrroleamides as mycobacterial GyrB ATPase inhibitors: Structure Activity… · RWX A1256 · binds VAL49, ASN52, ALA53, GLU56, VAL77, ASP79, ARG82, GLY83 and 8 more
  • 4BAE · Optimisation of pyrroleamides as mycobacterial gyrb ATPase inhibitors: structure activity… · RWX A1256 · binds VAL49, ASN52, ALA53, GLU56, VAL77, ASP79, ARG82, GLY83 and 8 more

Residues it binds most

VAL 8, ARG 8, ILE 8, ALA 8, ASN 8, ASP 8, GLU 8, GLY 8, PRO 8, THR 8 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • SO4 · Sulfate ion

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