Receptor
PDB id Resolution Class Description Source Keywords
1N8U 1.8 Å NON-ENZYME: BINDING CHEMOSENSORY PROTEIN IN COMPLEX WITH BROMO-DODECANOL MAMESTRA BRASSICAE LIPID BINDING PROTEIN
Ref.: MOTH CHEMOSENSORY PROTEIN EXHIBITS DRASTIC CONFORMATIONAL 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:411;
A:412;
A:413;
Valid;
Valid;
Valid;
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 552 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 426 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 322 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 (2D)
Ligand no: 1; Ligand: BDD; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 BDD 1 1
2 BHL BHL 0.944444 1
3 BHL 0.944444 1
4 ODI 0.611111 0.809524
5 HEZ 0.555556 0.809524
6 9JE 0.473684 0.761905
7 F09 0.44 0.666667
8 PL3 0.44 0.666667
9 O8N 0.44 0.666667
10 1DO 0.44 0.666667
11 OC9 0.44 0.666667
12 DE1 0.44 0.666667
13 HE4 0.4 0.666667
14 BRC 0.4 0.727273
Similar Ligands (3D)
Ligand no: 1; Ligand: BDD; Similar ligands found: 19
No: Ligand Similarity coefficient
1 C14 0.9655
2 MD2 0.9597
3 TER 0.9548
4 SPM 0.9386
5 SSV 0.9240
6 TDA 0.9222
7 3X1 0.9168
8 MYR 0.9155
9 DAO 0.9136
10 Q9C 0.9131
11 O48 0.9060
12 XS6 0.8961
13 ACA ACA 0.8933
14 BMJ 0.8838
15 SP5 0.8812
16 3LA 0.8761
17 FOF 0.8727
18 Y39 0.8721
19 F15 0.8616
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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