Receptor
PDB id Resolution Class Description Source Keywords
4IAE 2.05 Å EC: 4.6.1.2 CRYSTAL STRUCTURE OF BAY 60-2770 BOUND TO NOSTOC H-NOX DOMAI NOSTOC SP. ACTIVATION HNOX DOMAIN HEME BINDING NO BINDING LYASE
Ref.: INSIGHTS INTO BAY 60-2770 ACTIVATION AND S-NITROSYLATION-DEPENDENT DESENSITIZATION OF SOLUBL GUANYLYL CYCLASE VIA CRYSTAL STRUCTURES OF HOMOLOGO H-NOX DOMAIN COMPLEXES. BIOCHEMISTRY V. 52 3601 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1DX A:201;
B:201;
Valid;
Valid;
none;
none;
submit data
623.634 C35 H33 F4 N O5 c1cc(...
MLI B:202;
A:202;
A:203;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
102.046 C3 H2 O4 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4IAE 2.05 Å EC: 4.6.1.2 CRYSTAL STRUCTURE OF BAY 60-2770 BOUND TO NOSTOC H-NOX DOMAI NOSTOC SP. ACTIVATION HNOX DOMAIN HEME BINDING NO BINDING LYASE
Ref.: INSIGHTS INTO BAY 60-2770 ACTIVATION AND S-NITROSYLATION-DEPENDENT DESENSITIZATION OF SOLUBL GUANYLYL CYCLASE VIA CRYSTAL STRUCTURES OF HOMOLOGO H-NOX DOMAIN COMPLEXES. BIOCHEMISTRY V. 52 3601 2013
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4JQH - 1MF C40 H39 N O6 c1ccc(cc1)....
2 4IAE - 1DX C35 H33 F4 N O5 c1cc(ccc1C....
3 3L6J - Z90 C36 H39 N O5 c1ccc(cc1)....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4JQH - 1MF C40 H39 N O6 c1ccc(cc1)....
2 4IAE - 1DX C35 H33 F4 N O5 c1cc(ccc1C....
3 3L6J - Z90 C36 H39 N O5 c1ccc(cc1)....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4JQH - 1MF C40 H39 N O6 c1ccc(cc1)....
2 4IAE - 1DX C35 H33 F4 N O5 c1cc(ccc1C....
3 3L6J - Z90 C36 H39 N O5 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 1DX; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 1DX 1 1
2 1MF 0.557522 0.88
3 Z90 0.518182 0.843137
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4IAE; Ligand: 1DX; 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: 4iae.bio3) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4IAE; Ligand: 1DX; 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: 4iae.bio3) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4IAE; Ligand: 1DX; 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: 4iae.bio3) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4IAE; Ligand: 1DX; 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: 4iae.bio5) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4IAE; Ligand: 1DX; 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: 4iae.bio5) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4IAE; Ligand: 1DX; 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: 4iae.bio5) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4IAE; Ligand: 1DX; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4iae.bio5) has 35 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4IAE; Ligand: 1DX; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 4iae.bio5) has 35 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 4IAE; Ligand: 1DX; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 4iae.bio5) has 35 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 4IAE; Ligand: 1DX; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 4iae.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 4IAE; Ligand: 1DX; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 4iae.bio2) has 35 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 4IAE; Ligand: 1DX; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 4iae.bio4) has 35 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 4IAE; Ligand: 1DX; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 4iae.bio4) has 35 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 4IAE; Ligand: 1DX; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 4iae.bio4) has 35 residues
No: Leader PDB Ligand Sequence Similarity
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