Receptor
PDB id Resolution Class Description Source Keywords
2P71 2.01 Å NON-ENZYME: TRANSPORT BOMBYX MORI PHEROMONE BINDING PROTEIN BOUND TO IODOHEXADECAN BOMBYX MORI ALPHA-HELICAL BINDING POCKET LIGANDED ATTRACTANT
Ref.: BOMBYX MORI PHEROMONE-BINDING PROTEIN BINDING NONPH LIGANDS: IMPLICATIONS FOR PHEROMONE RECOGNITION. STRUCTURE V. 15 1148 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IHD A:300;
Valid;
none;
submit data
352.338 C16 H33 I CCCCC...
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: IHD; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 IHD 1 1
2 UND 0.611111 0.733333
3 LFA 0.611111 0.733333
4 R16 0.611111 0.733333
5 TWT 0.611111 0.733333
6 TRD 0.611111 0.733333
7 MYS 0.611111 0.733333
8 DD9 0.611111 0.733333
9 C14 0.611111 0.733333
10 D12 0.611111 0.733333
11 8K6 0.611111 0.733333
12 D10 0.611111 0.733333
13 OCT 0.555556 0.733333
14 HP6 0.473684 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: IHD; Similar ligands found: 0
No: Ligand Similarity coefficient
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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