Receptor
PDB id Resolution Class Description Source Keywords
1WOG 1.8 Å EC: 3.5.3.11 CRYSTAL STRUCTURE OF AGMATINASE REVEALS STRUCTURAL CONSERVATION AND INHIBITION MECHANISM OF THE UREOHYDROLASE S UPERFAMILY DEINOCOCCUS RADIODURANS ALPHA/BETA FOLD HYDROLASE
Ref.: CRYSTAL STRUCTURE OF AGMATINASE REVEALS STRUCTURAL CONSERVATION AND INHIBITION MECHANISM OF THE UREOHYDROLASE SUPERFAMILY J.BIOL.CHEM. V. 279 50505 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
16D A:1401;
B:1402;
C:1403;
D:1404;
E:1405;
F:1406;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
116.205 C6 H16 N2 C(CCC...
MN A:1601;
A:1602;
B:1603;
B:1604;
C:1605;
C:1606;
D:1607;
D:1608;
E:1609;
E:1610;
F:1611;
F:1612;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1WOG 1.8 Å EC: 3.5.3.11 CRYSTAL STRUCTURE OF AGMATINASE REVEALS STRUCTURAL CONSERVATION AND INHIBITION MECHANISM OF THE UREOHYDROLASE S UPERFAMILY DEINOCOCCUS RADIODURANS ALPHA/BETA FOLD HYDROLASE
Ref.: CRYSTAL STRUCTURE OF AGMATINASE REVEALS STRUCTURAL CONSERVATION AND INHIBITION MECHANISM OF THE UREOHYDROLASE SUPERFAMILY J.BIOL.CHEM. V. 279 50505 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1WOG - 16D C6 H16 N2 C(CCCN)CCN
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1WOG - 16D C6 H16 N2 C(CCCN)CCN
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1WOG - 16D C6 H16 N2 C(CCCN)CCN
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 16D; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 16D 1 1
2 DIA 0.909091 1
3 N2P 0.818182 0.95
4 PUT 0.636364 0.9
5 13D 0.545455 0.727273
6 AML 0.4375 0.6
7 011 0.434783 0.666667
8 8AC 0.416667 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1WOG; Ligand: 16D; 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: 1wog.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1WOG; Ligand: 16D; 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: 1wog.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1WOG; Ligand: 16D; 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: 1wog.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1WOG; Ligand: 16D; 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: 1wog.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1WOG; Ligand: 16D; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1wog.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1WOG; Ligand: 16D; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1wog.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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