Ligand · LDT

LDT · Idd594

LDT, Idd594 (C16 H12 Br F2 N O3 S, 416.2 g/mol), in the MolNFT structures on GenesisL1: bound in 36 records (18 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component: LDT
Formula: C16 H12 Br F2 N O3 S
Class: ligand
Structures: 36
PDB entries: 18

Binding sites

LDT in 36 structures; the first of them:

1US0 · Human Aldose Reductase in complex with NADP+ and the inhibitor IDD594 at 0.66 Angstrom · LDT A320 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, THR113, PHE115 and 7 more
2I16 · Human aldose reductase in complex with NADP+ and the inhibitor IDD594 at temperature of… · LDT A321 · binds TRP21, VAL48, TYR49, TRP80, HIS111, TRP112, THR114, PHE116 and 7 more
2I17 · Human aldose reductase in complex with NADP+ and the inhibitor IDD594 at temperature of… · LDT A321 · binds TRP21, VAL48, TYR49, TRP80, HIS111, TRP112, THR114, PHE116 and 7 more
2PEV · Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors… · LDT A320 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, THR113, PHE115 and 7 more
2PF8 · Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors… · LDT A320 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, THR113, PHE115 and 7 more
2PFH · Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors… · LDT A320 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, THR113, PHE115 and 7 more
2QXW · Perdeuterated alr2 in complex with idd594 · LDT A320 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, THR113, PHE115 and 7 more
2R24 · Human Aldose Reductase structure · LDT A317 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, THR113, PHE115 and 7 more
3GHR · Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of… · LDT A320 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, THR113, PHE115 and 7 more
3GHS · Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of… · LDT A320 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, THR113, PHE115 and 7 more
3GHT · Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of… · LDT A320 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, THR113, PHE115 and 7 more
3GHU · Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of… · LDT A320 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, THR113, PHE115 and 7 more
3LBO · Human aldose reductase mutant T113C complexed with IDD594 · LDT A600 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, CYS113, PHE115 and 7 more
3LD5 · Human aldose reductase mutant T113S complexed with IDD594 · LDT A600 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, SER113, PHE115 and 7 more
3LQL · Human Aldose Reductase mutant T113A complexed with IDD 594 · LDT A600 · binds TRP21, VAL48, TYR49, TRP80, HIS111, TRP112, ALA114, PHE116 and 7 more
3LZ5 · Human aldose reductase mutant T113V complexed with IDD594 · LDT A600 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, VAL113, PHE115 and 7 more
3ONB · Bond breakage and relocation of a covalently bound bromine of IDD594 in a complex with… · LDT A600 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, ALA113, PHE115 and 8 more
3ONC · Bond breakage and relocation of a covalently bound bromine of IDD594 in a complex with… · LDT A600 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, ALA113, PHE115 and 7 more
1US0 · Human aldose reductase in complex with NADP+ and the inhibitor IDD594 at 0.66 ångström · LDT A320 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, THR113, PHE115 and 7 more
2I16 · Human aldose reductase in complex with NADP+ and the inhibitor IDD594 at temperature of… · LDT A321 · binds TRP21, VAL48, TYR49, TRP80, HIS111, TRP112, THR114, PHE116 and 7 more
2I17 · Human aldose reductase in complex with NADP+ and the inhibitor IDD594 at temperature of… · LDT A321 · binds TRP21, VAL48, TYR49, TRP80, HIS111, TRP112, THR114, PHE116 and 7 more
2PEV · Complex of aldose reductase with NADP+ and simaltaneously bound competetive inhibitors… · LDT A320 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, THR113, PHE115 and 7 more
2PF8 · Complex of aldose reductase with NADP+ and simaltaneously bound competetive inhibitors… · LDT A320 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, THR113, PHE115 and 7 more
2PFH · Complex of aldose reductase with NADP+ and simaltaneously bound competetive inhibitors… · LDT A320 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, THR113, PHE115 and 7 more
2QXW · Perdeuterated ALR2 in complex with IDD594 · LDT A320 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, THR113, PHE115 and 7 more
2R24 · Human aldose reductase structure · LDT A317 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, THR113, PHE115 and 7 more
3GHR · Human aldose reductase in complex with NADP+ and the inhibitor IDD594. investigation of… · LDT A320 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, THR113, PHE115 and 7 more
3GHS · Human aldose reductase in complex with NADP+ and the inhibitor IDD594. investigation of… · LDT A320 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, THR113, PHE115 and 7 more
3GHT · Human aldose reductase in complex with NADP+ and the inhibitor IDD594. investigation of… · LDT A320 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, THR113, PHE115 and 7 more
3GHU · Human aldose reductase in complex with NADP+ and the inhibitor IDD594. investigation of… · LDT A320 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, THR113, PHE115 and 7 more
3LBO · Human aldose reductase mutant T113C complexed with IDD594 · LDT A600 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, CYS113, PHE115 and 7 more
3LD5 · Human aldose reductase mutant T113S complexed with IDD594 · LDT A600 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, SER113, PHE115 and 7 more
3LQL · Human aldose reductase mutant T113A complexed with idd 594 · LDT A600 · binds TRP21, VAL48, TYR49, TRP80, HIS111, TRP112, ALA114, PHE116 and 7 more
3LZ5 · Human aldose reductase mutant T113V complexed with IDD594 · LDT A600 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, VAL113, PHE115 and 7 more
3ONB · Bond breakage and relocation of a covalently bound bromine of IDD594 in a complex with… · LDT A600 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, ALA113, PHE115 and 8 more
3ONC · Bond breakage and relocation of a covalently bound bromine of IDD594 in a complex with… · LDT A600 · binds TRP20, VAL47, TYR48, TRP79, HIS110, TRP111, ALA113, PHE115 and 7 more

Residues it binds most

TRP 36, CYS 36, PHE 36, TYR 36, ALA 36, VAL 36, HIS 36, LEU 36, THR 24, SER 2 (residue and the binding sites it lines).

Found with

CIT · Citric acid
NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
BR · Bromide ion
FID · (2S,4S)-2-aminoformyl-6-fluoro-spiro[chroman-4,4'-imidazolidine]-2',5'-dione
CL · Chloride ion

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