Receptor
PDB id Resolution Class Description Source Keywords
1C3R 2 Å EC: 4.-.-.- CRYSTAL STRUCTURE OF AN HDAC HOMOLOG COMPLEXED WITH TRICHOSTATIN A AQUIFEX AEOLICUS ALPHA/BETA FOLD HYDROXAMIC ACID CHARGE-RELAY SYSTEM PENTA-COORDINATED ZINC LYASE
Ref.: STRUCTURES OF A HISTONE DEACETYLASE HOMOLOGUE BOUND TO THE TSA AND SAHA INHIBITORS. NATURE V. 401 188 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TSN A:502;
B:504;
 Valid;
Valid;
 none;
none;
 submit data
302.368 C17 H22 N2 O3 C[C@H...
ZN A:501;
B:503;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1C3R 2 Å EC: 4.-.-.- CRYSTAL STRUCTURE OF AN HDAC HOMOLOG COMPLEXED WITH TRICHOSTATIN A AQUIFEX AEOLICUS ALPHA/BETA FOLD HYDROXAMIC ACID CHARGE-RELAY SYSTEM PENTA-COORDINATED ZINC LYASE
Ref.: STRUCTURES OF A HISTONE DEACETYLASE HOMOLOGUE BOUND TO THE TSA AND SAHA INHIBITORS. NATURE V. 401 188 1999
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 1C3S - SHH C14 H20 N2 O3 c1ccc(cc1)....
2 1C3R - TSN C17 H22 N2 O3 C[C@H](C=C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 59 families.
1 1C3S - SHH C14 H20 N2 O3 c1ccc(cc1)....
2 1C3R - TSN C17 H22 N2 O3 C[C@H](C=C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 47 families.
1 1C3S - SHH C14 H20 N2 O3 c1ccc(cc1)....
2 1C3R - TSN C17 H22 N2 O3 C[C@H](C=C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TSN; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 E1Z 1 1
2 TSN 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: TSN; Similar ligands found: 3
No: Ligand Similarity coefficient
1 B3N 0.8870
2 UFJ 0.8797
3 SHH 0.8606
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1C3R; Ligand: TSN; 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: 1c3r.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1C3R; Ligand: TSN; 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: 1c3r.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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