Receptor
PDB id Resolution Class Description Source Keywords
1N8V 1.39 Å NON-ENZYME: BINDING CHEMOSENSORY PROTEIN IN COMPLEX WITH BROMO-DODECANOL MAMESTRA BRASSICAE LIPID BINDING PROTEIN
Ref.: MOTH CHEMOSENSORY PROTEIN EXHIBITS DRASTIC CONFORMA CHANGES AND COOPERATIVITY ON LIGAND BINDING. PROC.NATL.ACAD.SCI.USA V. 100 5069 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BDD A:501;
A:502;
A:503;
B:511;
B:512;
B:513;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
Kd = 0.93 uM
265.23 C12 H25 Br O C(CCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1N8V 1.39 Å NON-ENZYME: BINDING CHEMOSENSORY PROTEIN IN COMPLEX WITH BROMO-DODECANOL MAMESTRA BRASSICAE LIPID BINDING PROTEIN
Ref.: MOTH CHEMOSENSORY PROTEIN EXHIBITS DRASTIC CONFORMA CHANGES AND COOPERATIVITY ON LIGAND BINDING. PROC.NATL.ACAD.SCI.USA V. 100 5069 2003
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 1N8U Kd = 0.93 uM BDD C12 H25 Br O C(CCCCCCBr....
2 1N8V Kd = 0.93 uM BDD C12 H25 Br O C(CCCCCCBr....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 1N8U Kd = 0.93 uM BDD C12 H25 Br O C(CCCCCCBr....
2 1N8V Kd = 0.93 uM BDD C12 H25 Br O C(CCCCCCBr....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 1N8U Kd = 0.93 uM BDD C12 H25 Br O C(CCCCCCBr....
2 1N8V Kd = 0.93 uM BDD C12 H25 Br O C(CCCCCCBr....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BDD; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 BDD 1 1
2 BHL 0.944444 1
3 BHL BHL 0.944444 1
4 ODI 0.611111 0.809524
5 HEZ 0.555556 0.809524
6 F09 0.44 0.666667
7 DE1 0.44 0.666667
8 O8N 0.44 0.666667
9 OC9 0.44 0.666667
10 1DO 0.44 0.666667
11 PL3 0.44 0.666667
12 HE4 0.4 0.666667
13 BRC 0.4 0.727273
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1N8V; Ligand: BDD; 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: 1n8v.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1N8V; Ligand: BDD; 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: 1n8v.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1N8V; Ligand: BDD; 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: 1n8v.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1N8V; Ligand: BDD; 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: 1n8v.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1N8V; Ligand: BDD; 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: 1n8v.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1N8V; Ligand: BDD; 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: 1n8v.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
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