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Ligand · 8A0

8A0 · (4~{S})-6-azanyl-3-methyl-4-[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{H}-pyrano[2, 3-c]pyrazole-5-carbonitrile

8A0, (4~{S})-6-azanyl-3-methyl-4-[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{H}-pyrano[2, 3-c]pyrazole-5-carbonitrile (C25 H23 F3 N4 O, 452.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB…

Component
8A0
Formula
C25 H23 F3 N4 O
Class
ligand
Structures
1
PDB entries
1

Binding sites

8A0 in 1 structure; the first of them:

  • 5XMU · Plasmodium vivax shmt bound with plp-glycine and GS363 · 8A0 A502 · binds LEU124, GLY127, GLY128, HIS129, LEU130, PHE134, VAL141, THR183 and 11 more

Residues it binds most

ASN 3, GLY 3, LEU 3, THR 3, TYR 2, ARG 3, CYS 3, HIS 3, LYS 3, PRO 3 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion

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