Ligand · A1A5Q

A1A5Q · 4,6-dicyclopropyl-3-{[3-fluoro-4-(trifluoromethyl)phenyl]methyl}-2-methyl-2,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one

A1A5Q, 4,6-dicyclopropyl-3-{[3-fluoro-4-(trifluoromethyl)phenyl]methyl}-2-methyl-2,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one (C20 H18 F4 N4 O, 406.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every…

Component: A1A5Q
Formula: C20 H18 F4 N4 O
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

A1A5Q in 1 structure; the first of them:

9DKQ · Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with… · A1A5Q A1001 · binds TYR168, PHE171, LEU172, CYS175, LEU176, GLY181, CYS184, HIS185 and 10 more

Residues it binds most

LEU 1, PHE 1, CYS 1, TYR 1, ARG 1, GLY 1, HIS 1, ILE 1, MET 1, VAL 1 (residue and the binding sites it lines).

Found with

FMN · Flavin mononucleotide
OG6 · 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione

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