Ligand · ZST

ZST · 3,4-dihydro-4-oxo-3-((5-trifluoromethyl-2-benzothiazolyl)methyl)-1-phthalazine acetic acid

ZST, 3,4-dihydro-4-oxo-3-((5-trifluoromethyl-2-benzothiazolyl)methyl)-1-phthalazine acetic acid (C19 H12 F3 N3 O3 S, 419.4 g/mol), in the MolNFT structures on GenesisL1: bound in 42 records (21 PDB entries). Every binding site with its…

Component: ZST
Formula: C19 H12 F3 N3 O3 S
Class: ligand
Structures: 42
PDB entries: 21

Binding sites

ZST in 42 structures; the first of them:

1FRB · Fr-1 PROTEIN/NADPH/ZOPOLRESTAT complex · ZST A351 · binds TRP20, ALA47, TYR48, TRP79, HIS110, TRP111, PRO112, GLN113 and 7 more
1MAR · Refined 1.8 ångströms structure of human aldose reductase complexed with the potent… · ZST A351 · binds ALA299, LEU300, CYS303
2DUX · Crystal structure of human Aldose Reductase complexed with zopolrestat after 3 days… · ZST A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, PRO112 and 10 more
2DUZ · Human Aldose Reductase complexed with inhibitor zopolrestat after 3 days soaking… · ZST A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, PRO112 and 10 more
2DV0 · Human Aldose Reductase complexed with zopolrestat after 6 days soaking(6days_soaked_2) · ZST A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, PRO112 and 10 more
2FZ8 · Human Aldose reductase complexed with inhibitor zopolrestat at 1.48 A(1 day soaking). · ZST A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, PRO112 and 10 more
2FZ9 · Human Aldose Reductase complexed with inhibitor zopolrestat after six days soaking. · ZST A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, PRO112 and 10 more
2HV5 · Human Aldose Reductase complexed with inhibitor zopolrestat after three days soaking… · ZST A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, PRO112 and 10 more
2HVN · Human Aldose Reductase-zopolrestat complex obtained by cocrystallisation after one day… · ZST A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, PRO112 and 10 more
2HVO · Human Aldose Reductase-zopolrestat complex obtained by cocrystallisation (10days_cocryst) · ZST A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, PRO112 and 10 more
2PD5 · Human aldose reductase mutant V47I complexed with zopolrestat · ZST A600 · binds TRP20, ILE47, TYR48, TRP79, CYS80, HIS110, TRP111, PRO112 and 11 more
2PDB · Human aldose reductase mutant F121P complexed with zopolrestat. · ZST A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, PRO112 and 11 more
2PDF · Human aldose reductase mutant L300P complexed with zopolrestat. · ZST A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, PRO112 and 11 more
2PDI · Human aldose reductase mutant L300A complexed with zopolrestat at 1.55 A. · ZST A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, PRO112 and 10 more
2PDM · Human aldose reductase mutant S302R complexed with zopolrestat. · ZST A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, PRO112 and 10 more
2PDX · Human aldose reductase double mutant S302R-C303D complexed with zopolrestat. · ZST A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, THR113 and 10 more
3LEN · Human Aldose Reductase mutant T113S complexed with Zopolrestat · ZST A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, PRO112 and 11 more
3M0I · Human Aldose Reductase mutant T113V in complex with Zopolrestat · ZST A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, PRO112 and 10 more
3MB9 · Human Aldose Reductase mutant T113A complexed with Zopolrestat · ZST A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, PRO112 and 11 more
4JII · Crystal Structure Of AKR1B10 Complexed With NADP+ And Zopolrestat · ZST X402 · binds TRP21, VAL48, TYR49, TRP80, HIS111, TRP112, PRO113, GLN114 and 9 more
4KYH · Crystal structure of mouse glyoxalase I complexed with zopolrestat · ZST A203 · binds MET36, ARG38, MET66, PHE68, LEU70, GLU100, THR102, ASN104 and 5 more
1FRB · Fr-1 PROTEIN/NADPH/ZOPOLRESTAT complex · ZST A351 · binds TRP20, ALA47, TYR48, TRP79, HIS110, TRP111, PRO112, GLN113 and 7 more
1MAR · Refined 1.8 ångströms structure of human aldose reductase complexed with the potent… · ZST A351 · binds ALA299, LEU300, CYS303
2DUX · Crystal structure of human aldose reductase complexed with zopolrestat after 3 days… · ZST A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, PRO112 and 10 more
2DUZ · Human aldose reductase complexed with inhibitor zopolrestat after 3 days soaking… · ZST A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, PRO112 and 10 more
2DV0 · Human aldose reductase complexed with zopolrestat after 6 days SOAKING(6DAYS_SOAKED_2) · ZST A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, PRO112 and 10 more
2FZ8 · Human aldose reductase complexed with inhibitor zopolrestat at 1.48 A(1 day soaking). · ZST A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, PRO112 and 10 more
2FZ9 · Human aldose reductase complexed with inhibitor zopolrestat after six days soaking. · ZST A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, PRO112 and 10 more
2HV5 · Human aldose reductase complexed with inhibitor zopolrestat after three days soaking… · ZST A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, PRO112 and 10 more
2HVN · Human aldose reductase-zopolrestat complex obtained by cocrystallisation after one day… · ZST A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, PRO112 and 10 more
2HVO · Human aldose reductase-zopolrestat complex obtained by cocrystallisation (10DAYS_COCRYST) · ZST A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, PRO112 and 10 more
2PD5 · Human aldose reductase mutant V47I complexed with zopolrestat · ZST A600 · binds TRP20, ILE47, TYR48, TRP79, CYS80, HIS110, TRP111, PRO112 and 11 more
2PDB · Human aldose reductase mutant F121P complexed with zopolrestat. · ZST A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, PRO112 and 11 more
2PDF · Human aldose reductase mutant L300P complexed with zopolrestat. · ZST A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, PRO112 and 11 more
2PDI · Human aldose reductase mutant L300A complexed with zopolrestat at 1.55 a. · ZST A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, PRO112 and 10 more
2PDM · Human aldose reductase mutant S302R complexed with zopolrestat. · ZST A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, PRO112 and 10 more
2PDX · Human aldose reductase double mutant S302R-C303D complexed with zopolrestat. · ZST A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, THR113 and 10 more
3LEN · Human aldose reductase mutant T113S complexed with zopolrestat · ZST A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, PRO112 and 11 more
3M0I · Human aldose reductase mutant T113V in complex with zopolrestat · ZST A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, PRO112 and 10 more
3MB9 · Human aldose reductase mutant T113A complexed with zopolrestat · ZST A600 · binds TRP20, VAL47, TYR48, TRP79, CYS80, HIS110, TRP111, PRO112 and 11 more

Residues it binds most

TRP 40, CYS 40, PHE 40, PRO 38, TYR 38, HIS 40, ALA 38, LEU 38, VAL 36, THR 32 (residue and the binding sites it lines).

Found with

NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
NA · Sodium ion
ZN · Zinc ion

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