Receptor
PDB id Resolution Class Description Source Keywords
2D5X 1.45 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF CARBONMONOXY HORSE HEMOGLOBIN COMPLEXED WITH L35 EQUUS CABALLUS HEMOGLOBIN L35 ALLOSTERIC EFFECTOR CRYSTAL STRUCTURE OXYGEN STORAGE/TRANSPORT COMPLEX
Ref.: R-STATE HAEMOGLOBIN WITH LOW OXYGEN AFFINITY: CRYSTAL STRUCTURES OF DEOXY HUMAN AND CARBONMONOXY HORSE HAEMOGLOBIN BOUND TO THE EFFECTOR MOLECULE L35 J.MOL.BIOL. V. 356 790 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CMO A:1143;
B:1148;
Invalid;
Invalid;
none;
none;
submit data
28.01 C O [C-]#...
HEM A:142;
B:147;
Part of Protein;
Part of Protein;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
L35 A:1200;
B:1201;
Valid;
Valid;
none;
none;
submit data
383.226 C17 H16 Cl2 N2 O4 CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2D5X 1.45 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF CARBONMONOXY HORSE HEMOGLOBIN COMPLEXED WITH L35 EQUUS CABALLUS HEMOGLOBIN L35 ALLOSTERIC EFFECTOR CRYSTAL STRUCTURE OXYGEN STORAGE/TRANSPORT COMPLEX
Ref.: R-STATE HAEMOGLOBIN WITH LOW OXYGEN AFFINITY: CRYSTAL STRUCTURES OF DEOXY HUMAN AND CARBONMONOXY HORSE HAEMOGLOBIN BOUND TO THE EFFECTOR MOLECULE L35 J.MOL.BIOL. V. 356 790 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 2D5X - L35 C17 H16 Cl2 N2 O4 CC(C)(C(=O....
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 4NI1 - 2JX C10 H9 N3 O2 S c1ccc2c(c1....
2 2D60 - L35 C17 H16 Cl2 N2 O4 CC(C)(C(=O....
3 1G9V - RQ3 C20 H23 N O4 Cc1cc(cc(c....
4 5KDQ - KOH C12 H11 Cl N2 O3 c1cc(c(cc1....
5 3WHM - O4B C12 H24 O6 C1COCCOCCO....
6 4NI0 - 2P3 C10 H9 N3 O2 S c1ccc2c(c1....
7 4M4B - NOE C2 H5 N O CCN=O
8 5E6E - MBN C7 H8 Cc1ccccc1
9 2D5Z - L35 C17 H16 Cl2 N2 O4 CC(C)(C(=O....
10 5E29 - 5JN C22 H26 N2 O7 Cc1cc(cc(c....
11 2D5X - L35 C17 H16 Cl2 N2 O4 CC(C)(C(=O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 2D5X - L35 C17 H16 Cl2 N2 O4 CC(C)(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: L35; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 L35 1 1
2 6X1 0.411765 0.714286
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2D5X; Ligand: L35; 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: 2d5x.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2D5X; Ligand: L35; 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: 2d5x.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2D5X; Ligand: L35; 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: 2d5x.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2D5X; Ligand: L35; 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: 2d5x.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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