Receptor
PDB id Resolution Class Description Source Keywords
2OZ5 2 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS PROTEIN TYRO PHOSPHATASE PTPB IN COMPLEX WITH THE SPECIFIC INHIBITOR OMT MYCOBACTERIUM TUBERCULOSIS PROTEIN TYROSINE PHOSPHATASE IN COMPLEX WITH SMALL MOLECULE INHIBITOR STRUCTURAL GENOMICS TB STRUCTURAL GENOMICS CONSTBSGC UNKNOWN FUNCTION
Ref.: STRUCTURAL BASIS FOR SELECTIVE INHIBITION OF MYCOBA TUBERCULOSIS PROTEIN TYROSINE PHOSPHATASE PTPB. STRUCTURE V. 15 499 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
7XY A:277;
A:278;
B:277;
B:278;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
ic50 = 440 nM
583.118 C29 H27 Cl N2 O5 S2 c1ccc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2OZ5 2 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS PROTEIN TYRO PHOSPHATASE PTPB IN COMPLEX WITH THE SPECIFIC INHIBITOR OMT MYCOBACTERIUM TUBERCULOSIS PROTEIN TYROSINE PHOSPHATASE IN COMPLEX WITH SMALL MOLECULE INHIBITOR STRUCTURAL GENOMICS TB STRUCTURAL GENOMICS CONSTBSGC UNKNOWN FUNCTION
Ref.: STRUCTURAL BASIS FOR SELECTIVE INHIBITION OF MYCOBA TUBERCULOSIS PROTEIN TYROSINE PHOSPHATASE PTPB. STRUCTURE V. 15 499 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 283 families.
1 2OZ5 ic50 = 440 nM 7XY C29 H27 Cl N2 O5 S2 c1ccc(cc1)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 235 families.
1 2OZ5 ic50 = 440 nM 7XY C29 H27 Cl N2 O5 S2 c1ccc(cc1)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 193 families.
1 2OZ5 ic50 = 440 nM 7XY C29 H27 Cl N2 O5 S2 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 7XY; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 7XY 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2OZ5; Ligand: 7XY; 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: 2oz5.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2OZ5; Ligand: 7XY; 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: 2oz5.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2OZ5; Ligand: 7XY; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2oz5.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2OZ5; Ligand: 7XY; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2oz5.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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