Receptor
PDB id Resolution Class Description Source Keywords
3F81 1.9 Å EC: 3.1.3.16 INTERACTION OF VHR WITH SA3 HOMO SAPIENS HYDROLASE PROTEIN DUAL-SPECIFICITY PHOSPHATASE INHIBITOR PROTEIN PHOSPHATASE
Ref.: MULTIDENTATE SMALL-MOLECULE INHIBITORS OF VACCINIA H1-RELATED (VHR) PHOSPHATASE DECREASE PROLIFERATION OF CERVIX CANCER CELLS. J.MED.CHEM. V. 52 6716 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
STT A:1;
B:1;
Valid;
Valid;
none;
none;
ic50 = 0.074 uM
255.335 C6 H9 N O4 S3 CC1=[...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3F81 1.9 Å EC: 3.1.3.16 INTERACTION OF VHR WITH SA3 HOMO SAPIENS HYDROLASE PROTEIN DUAL-SPECIFICITY PHOSPHATASE INHIBITOR PROTEIN PHOSPHATASE
Ref.: MULTIDENTATE SMALL-MOLECULE INHIBITORS OF VACCINIA H1-RELATED (VHR) PHOSPHATASE DECREASE PROLIFERATION OF CERVIX CANCER CELLS. J.MED.CHEM. V. 52 6716 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 3F81 ic50 = 0.074 uM STT C6 H9 N O4 S3 CC1=[S@@H]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 3F81 ic50 = 0.074 uM STT C6 H9 N O4 S3 CC1=[S@@H]....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 3F81 ic50 = 0.074 uM STT C6 H9 N O4 S3 CC1=[S@@H]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: STT; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 STT 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3F81; Ligand: STT; 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: 3f81.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3F81; Ligand: STT; 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: 3f81.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3F81; Ligand: STT; 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: 3f81.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3F81; Ligand: STT; 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: 3f81.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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