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Ligand · YB7

YB7 · ~{N}-[(1~{S})-2-azanyl-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-5-[5-(trifluoromethyl) pyridin-2-yl]-1~{H}-pyrrole-2-carboxamide

YB7, ~{N}-[(1~{S})-2-azanyl-1-[5-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-5-[5-(trifluoromethyl) pyridin-2-yl]-1~{H}-pyrrole-2-carboxamide (C18 H18 F3 N5 O2 S, 425.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
YB7
Formula
C18 H18 F3 N5 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

YB7 in 2 structures; the first of them:

  • 7LPX · Crystal Structure of HIV-1 RT in Complex with NBD-14270 · YB7 A603 · binds PRO95, LEU100, VAL108, ASP110, TYR181, GLN182, TYR183, ASP186 and 7 more
  • 7LPX · Crystal structure of HIV-1 rt in complex with nbd-14270 · YB7 A603 · binds PRO95, LEU100, VAL108, ASP110, TYR181, TYR183, ASP186, TYR188 and 3 more

Residues it binds most

TYR 2, ASP 2, LEU 2, MET 2, PHE 2, PRO 2, TRP 2, VAL 2, GLN 1, LYS 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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