Receptor
PDB id Resolution Class Description Source Keywords
1DQE 1.8 Å NON-ENZYME: TRANSPORT BOMBYX MORI PHEROMONE BINDING PROTEIN BOMBYX MORI HELICAL BUNDLE TRANSPORT PROTEIN
Ref.: SEXUAL ATTRACTION IN THE SILKWORM MOTH: STRUCTURE OF THE PHEROMONE-BINDING-PROTEIN-BOMBYKOL COMPLEX. CHEM.BIOL. V. 7 143 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BOM A:300;
B:400;
 Valid;
Valid;
 none;
none;
 submit data
238.409 C16 H30 O CCCC=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1DQE 1.8 Å NON-ENZYME: TRANSPORT BOMBYX MORI PHEROMONE BINDING PROTEIN BOMBYX MORI HELICAL BUNDLE TRANSPORT PROTEIN
Ref.: SEXUAL ATTRACTION IN THE SILKWORM MOTH: STRUCTURE OF THE PHEROMONE-BINDING-PROTEIN-BOMBYKOL COMPLEX. CHEM.BIOL. V. 7 143 2000
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 1DQE - BOM C16 H30 O CCCC=C/C=C....
2 2P70 - PRZ C9 H14 N2 O CC(C)Cc1c(....
3 2P71 - IHD C16 H33 I CCCCCCCCCC....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 1DQE - BOM C16 H30 O CCCC=C/C=C....
2 2P70 - PRZ C9 H14 N2 O CC(C)Cc1c(....
3 2P71 - IHD C16 H33 I CCCCCCCCCC....
4 4INW - 1EY C16 H28 O CC/C=CC=C/....
5 4INX - 1EX C16 H30 O CC/C=CC=C/....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 1DQE - BOM C16 H30 O CCCC=C/C=C....
2 2P70 - PRZ C9 H14 N2 O CC(C)Cc1c(....
3 2P71 - IHD C16 H33 I CCCCCCCCCC....
4 4INW - 1EY C16 H28 O CC/C=CC=C/....
5 4INX - 1EX C16 H30 O CC/C=CC=C/....
6 2WC5 - BOM C16 H30 O CCCC=C/C=C....
7 2WCH - B7M C16 H28 O CCCC=C/C=C....
8 2WC6 - BOM C16 H30 O CCCC=C/C=C....
9 2WCM - B9M C16 H28 O CCCC#CC=CC....
10 2WCJ - M21 C14 H26 O CC=C/C=C/C....
11 2WCL - B8M C16 H30 O CCCCCC=C/C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BOM; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 BOM 1 1
2 B8M 0.794118 0.913043
3 1EX 0.722222 0.952381
4 M21 0.648649 0.904762
5 ODD 0.466667 0.692308
6 DE1 0.441176 0.826087
7 PL3 0.441176 0.826087
8 O8N 0.441176 0.826087
9 OC9 0.441176 0.826087
10 1DO 0.441176 0.826087
11 F09 0.441176 0.826087
12 B9M 0.4375 0.954545
13 HE4 0.411765 0.826087
Similar Ligands (3D)
Ligand no: 1; Ligand: BOM; Similar ligands found: 2
No: Ligand Similarity coefficient
1 MYR 0.8611
2 OLA 0.8571
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1DQE; Ligand: BOM; 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: 1dqe.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1DQE; Ligand: BOM; 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: 1dqe.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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