Receptor
PDB id Resolution Class Description Source Keywords
1SQI 2.15 Å EC: 1.-.-.- STRUCTURAL BASIS FOR INHIBITOR SELECTIVITY REVEALED BY CRYSTAL STRUCTURES OF PLANT AND MAMMALIAN 4- H YDROXYPHENYLPYRUVATE DIOXYGENASES RATTUS NORVEGICUS RAT 4-HYDROXYPHENYLPYRUVATE DIOXYGENASE BIOSYNTHETIC PROTEIN
Ref.: STRUCTURAL BASIS FOR HERBICIDAL INHIBITOR SELECTIVITY REVEALED BY COMPARISON OF CRYSTAL STRUCTURES OF PLANT AND MAMMALIAN 4-HYDROXYPHENYLPYRUVATE DIOXYGENASES BIOCHEMISTRY V. 43 10414 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
869 A:1501;
B:1502;
Valid;
Valid;
none;
none;
ic50 < 20 nM
442.528 C23 H26 N2 O5 S Cc1c(...
FE A:1450;
A:1451;
B:1452;
B:1453;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
55.845 Fe [Fe+3...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1SQI 2.15 Å EC: 1.-.-.- STRUCTURAL BASIS FOR INHIBITOR SELECTIVITY REVEALED BY CRYSTAL STRUCTURES OF PLANT AND MAMMALIAN 4- H YDROXYPHENYLPYRUVATE DIOXYGENASES RATTUS NORVEGICUS RAT 4-HYDROXYPHENYLPYRUVATE DIOXYGENASE BIOSYNTHETIC PROTEIN
Ref.: STRUCTURAL BASIS FOR HERBICIDAL INHIBITOR SELECTIVITY REVEALED BY COMPARISON OF CRYSTAL STRUCTURES OF PLANT AND MAMMALIAN 4-HYDROXYPHENYLPYRUVATE DIOXYGENASES BIOCHEMISTRY V. 43 10414 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 1SQI ic50 < 20 nM 869 C23 H26 N2 O5 S Cc1c(ccc(c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 1SQI ic50 < 20 nM 869 C23 H26 N2 O5 S Cc1c(ccc(c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 1SQI ic50 < 20 nM 869 C23 H26 N2 O5 S Cc1c(ccc(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 869; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 869 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1SQI; Ligand: 869; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1sqi.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1SQI; Ligand: 869; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1sqi.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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