Receptor
PDB id Resolution Class Description Source Keywords
5G0H 1.6 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF DANIO RERIO HDAC6 CD2 IN COMPLEX WITH ( S)-TRICHOSTATIN A DANIO RERIO CELL CYCLE HISTONE HISTONE DEACETYLASE
Ref.: STRUCTURAL INSIGHTS INTO HDAC6 TUBULIN DEACETYLATIO ITS SELECTIVE INHIBITION NAT.CHEM.BIOL. V. 12 748 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:1811;
A:1808;
A:1813;
A:1809;
A:1814;
A:1806;
A:1810;
A:1807;
A:1812;
A:1805;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
ZN A:1804;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
K A:1802;
A:1803;
Part of Protein;
Part of Protein;
none;
none;
submit data
39.098 K [K+]
E1Z A:1801;
Valid;
none;
ic50 = 9.88 nM
302.368 C17 H22 N2 O3 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5G0H 1.6 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF DANIO RERIO HDAC6 CD2 IN COMPLEX WITH ( S)-TRICHOSTATIN A DANIO RERIO CELL CYCLE HISTONE HISTONE DEACETYLASE
Ref.: STRUCTURAL INSIGHTS INTO HDAC6 TUBULIN DEACETYLATIO ITS SELECTIVE INHIBITION NAT.CHEM.BIOL. V. 12 748 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5G0H ic50 = 9.88 nM E1Z C17 H22 N2 O3 C[C@@H](/C....
2 5G0I - N4R C19 H23 N3 O3 CCCCN(Cc1c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 5G0H ic50 = 9.88 nM E1Z C17 H22 N2 O3 C[C@@H](/C....
2 5G0I - N4R C19 H23 N3 O3 CCCCN(Cc1c....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5G0H ic50 = 9.88 nM E1Z C17 H22 N2 O3 C[C@@H](/C....
2 5G0I - N4R C19 H23 N3 O3 CCCCN(Cc1c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: E1Z; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 TSN 1 1
2 E1Z 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5G0H; Ligand: E1Z; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 5g0h.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5G1C 9RB 42.7027
2 3MAX LLX 44.6866
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