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Ligand · YBA

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

YBA, ~{N}-[(1~{S})-2-azanyl-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-[3-fluoranyl-4-(trifluoromethyl)phenyl]-1~{H}-pyrrole-2-carboxamide (C18 H16 F4 N4 O2 S, 428.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
YBA
Formula
C18 H16 F4 N4 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

YBA in 2 structures; the first of them:

  • 7LPW · Crystal Structure of HIV-1 RT in Complex with NBD-14189 · YBA A605 · binds PRO95, LEU100, VAL108, ASP110, TYR181, TYR183, ASP186, TYR188 and 5 more
  • 7LPW · Crystal structure of HIV-1 rt in complex with nbd-14189 · YBA A605 · binds PRO95, LEU100, VAL108, ASP110, TYR181, TYR183, ASP186, TYR188 and 5 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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