Receptor
PDB id Resolution Class Description Source Keywords
2ACO 1.8 Å NON-ENZYME: OTHER XRAY STRUCTURE OF BLC DIMER IN COMPLEX WITH VACCENIC ACID ESCHERICHIA COLI LIPOCALIN FATTY ACID E.COLI LIPID TRANSPORT MEMBRANE PROTEIN
Ref.: THE MEMBRANE BOUND BACTERIAL LIPOCALIN BLC IS A FUNCTIONAL DIMER WITH BINDING PREFERENCE FOR LYSOPHOSPHOLIPIDS. FEBS LETT. V. 580 4877 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
VCA B:501;
 Valid;
 none;
 Kd = 2.5 uM
282.461 C18 H34 O2 CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ACO 1.8 Å NON-ENZYME: OTHER XRAY STRUCTURE OF BLC DIMER IN COMPLEX WITH VACCENIC ACID ESCHERICHIA COLI LIPOCALIN FATTY ACID E.COLI LIPID TRANSPORT MEMBRANE PROTEIN
Ref.: THE MEMBRANE BOUND BACTERIAL LIPOCALIN BLC IS A FUNCTIONAL DIMER WITH BINDING PREFERENCE FOR LYSOPHOSPHOLIPIDS. FEBS LETT. V. 580 4877 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 2ACO Kd = 2.5 uM VCA C18 H34 O2 CCCCCCC=CC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 2ACO Kd = 2.5 uM VCA C18 H34 O2 CCCCCCC=CC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 2ACO Kd = 2.5 uM VCA C18 H34 O2 CCCCCCC=CC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: VCA; Similar ligands found: 55
No: Ligand ECFP6 Tc MDL keys Tc
1 PAM 1 1
2 VCA 1 1
3 ELA 0.939394 1
4 NER 0.939394 1
5 OLA 0.939394 1
6 MYZ 0.852941 0.954545
7 EIC 0.725 0.956522
8 ODD 0.675 0.956522
9 DAO 0.666667 0.954545
10 F23 0.666667 0.954545
11 MYR 0.666667 0.954545
12 TDA 0.666667 0.954545
13 11A 0.666667 0.954545
14 PLM 0.666667 0.954545
15 STE 0.666667 0.954545
16 X90 0.666667 0.954545
17 KNA 0.666667 0.954545
18 DCR 0.666667 0.954545
19 F15 0.666667 0.954545
20 DKA 0.666667 0.954545
21 EW8 0.666667 0.954545
22 OCA 0.636364 0.954545
23 RCL 0.625 0.88
24 LNL 0.613636 0.869565
25 SHV 0.606061 0.909091
26 KTC 0.564103 0.84
27 ODT 0.555556 0.826087
28 T25 0.54717 0.709677
29 AZ1 0.53125 0.615385
30 10Y 0.529412 0.645161
31 6NA 0.529412 0.863636
32 10X 0.529412 0.645161
33 3X1 0.525 0.863636
34 MVC 0.519231 0.617647
35 243 0.519231 0.846154
36 VA 0.511111 0.692308
37 OLC 0.490566 0.617647
38 OLB 0.490566 0.617647
39 ACD 0.488889 0.956522
40 EOD 0.468085 0.677419
41 1WV 0.45283 0.617647
42 78M 0.444444 0.617647
43 78N 0.444444 0.617647
44 3LA 0.44186 0.769231
45 LEA 0.441176 0.772727
46 T24 0.438596 0.769231
47 BRC 0.435897 0.64
48 M12 0.428571 0.833333
49 MPG 0.425926 0.617647
50 9OD 0.422222 0.72
51 14V 0.413043 0.714286
52 BMJ 0.4 0.913043
53 D0G 0.4 0.913043
54 14U 0.4 0.678571
55 BNV 0.4 0.913043
Similar Ligands (3D)
Ligand no: 1; Ligand: VCA; 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 : 2ACO; Ligand: VCA; 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: 2aco.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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