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Ligand · YBD

YBD · ~{N}-[(1~{R})-2-azanyl-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(4-chloranyl-3-fluoranyl-phenyl)-1~{H}-pyrrole-2-carboxamide

YBD, ~{N}-[(1~{R})-2-azanyl-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(4-chloranyl-3-fluoranyl-phenyl)-1~{H}-pyrrole-2-carboxamide (C17 H16 Cl F N4 O2 S, 394.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
YBD
Formula
C17 H16 Cl F N4 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

YBD in 2 structures; the first of them:

  • 7LQU · Crystal Structure of HIV-1 RT in Complex with NBD-14075 · YBD A601 · binds PRO95, LEU100, VAL108, ASP110, TYR181, GLN182, TYR183, ASP186 and 5 more
  • 7LQU · Crystal structure of HIV-1 rt in complex with nbd-14075 · YBD A601 · binds PRO95, LEU100, VAL108, ASP110, TYR181, GLN182, TYR183, ASP186 and 5 more

Residues it binds most

TYR 2, ASP 2, LEU 2, GLN 2, HIS 2, PHE 2, PRO 2, TRP 2, VAL 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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