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Receptor
PDB id Resolution Class Description Source Keywords
2ZX7 2.48 Å EC: 3.2.1.51 ALPHA-L-FUCOSIDASE COMPLEXED WITH INHIBITOR, F10-2C THERMOTOGA MARITIMA TIM BARREL HYDROLASE
Ref.: STRUCTURAL BASIS OF ALPHA-FUCOSIDASE INHIBITION BY IMINOCYCLITOLS WITH K(I) VALUES IN THE MICRO- TO PI RANGE. ANGEW.CHEM.INT.ED.ENGL. V. 49 337 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZX7 A:901;
B:902;
Valid;
Valid;
none;
none;
Ki = 0.427 nM
319.356 C16 H21 N3 O4 C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZX7 2.48 Å EC: 3.2.1.51 ALPHA-L-FUCOSIDASE COMPLEXED WITH INHIBITOR, F10-2C THERMOTOGA MARITIMA TIM BARREL HYDROLASE
Ref.: STRUCTURAL BASIS OF ALPHA-FUCOSIDASE INHIBITION BY IMINOCYCLITOLS WITH K(I) VALUES IN THE MICRO- TO PI RANGE. ANGEW.CHEM.INT.ED.ENGL. V. 49 337 2010
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2ZX6 Ki = 0.475 nM ZX6 C17 H23 N3 O4 C[C@H]1[C@....
2 2ZXD Ki = 6 uM ZXD C8 H17 N O3 CC(C)[C@H]....
3 2ZX7 Ki = 0.427 nM ZX7 C16 H21 N3 O4 C[C@H]1[C@....
4 2ZX8 Ki = 0.441 nM ZX8 C16 H20 N2 O5 C[C@H]1[C@....
5 2ZWZ Ki = 16.3 nM ZWZ C7 H16 N2 O3 C[C@H]1[C@....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2ZX6 Ki = 0.475 nM ZX6 C17 H23 N3 O4 C[C@H]1[C@....
2 2ZXD Ki = 6 uM ZXD C8 H17 N O3 CC(C)[C@H]....
3 2ZX7 Ki = 0.427 nM ZX7 C16 H21 N3 O4 C[C@H]1[C@....
4 2ZX8 Ki = 0.441 nM ZX8 C16 H20 N2 O5 C[C@H]1[C@....
5 2ZWZ Ki = 16.3 nM ZWZ C7 H16 N2 O3 C[C@H]1[C@....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2ZX6 Ki = 0.475 nM ZX6 C17 H23 N3 O4 C[C@H]1[C@....
2 2ZXD Ki = 6 uM ZXD C8 H17 N O3 CC(C)[C@H]....
3 2ZX7 Ki = 0.427 nM ZX7 C16 H21 N3 O4 C[C@H]1[C@....
4 2ZX8 Ki = 0.441 nM ZX8 C16 H20 N2 O5 C[C@H]1[C@....
5 2ZWZ Ki = 16.3 nM ZWZ C7 H16 N2 O3 C[C@H]1[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ZX7; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 ZX7 1 1
2 ZX8 0.565789 0.961538
3 TA9 0.481928 0.90566
4 ZX6 0.47561 0.962264
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ZX7; Ligand: ZX7; Similar sites found with APoc: 30
This union binding pocket(no: 1) in the query (biounit: 2zx7.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 4YZ5 SLT 1.97802
2 3N9P OGA 2.1978
3 4GQP B40 2.40964
4 6D50 GCB 2.41758
5 3ZV6 4HB 2.4911
6 5M90 JIF 2.63736
7 4NZF ARB 2.67857
8 4B1V LAB 2.92553
9 1DDU DDU 3.01887
10 5LA1 XYP 3.05499
11 1KW6 BPY 3.08219
12 3T7V MD0 3.14286
13 5D6T NGA 3.30882
14 3EQO LGC 3.95604
15 1DRJ RIP 4.05904
16 2YBP 2HG 4.72441
17 3VSV XYP 5.27473
18 5JSP DQY 5.47264
19 5BTX CMP 5.47945
20 1RZM PEP 5.91716
21 5AB1 BCD TA5 HP6 MAN 6.33333
22 2IOY RIP 6.36042
23 1CEB AMH 6.81818
24 1LT3 GAL BGC 7.5
25 5EO8 TFU 7.71704
26 4C1K PEP 10.687
27 2FTB OLA 16.8
28 1LTT GAL BGC 26.8293
29 3UES DFU 29.011
30 4PSR FUL 49.6703
Pocket No.: 2; Query (leader) PDB : 2ZX7; Ligand: ZX7; 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: 2zx7.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2ZX7; Ligand: ZX7; 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: 2zx7.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2ZX7; Ligand: ZX7; Similar sites found with APoc: 10
This union binding pocket(no: 4) in the query (biounit: 2zx7.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 3N9O OGA 2.1978
2 4EUO ABU 2.5
3 1ZQ5 E04 4.02477
4 1ZQ5 NAP 4.02477
5 1TLG GAL 5.6
6 1P72 THM 6.28743
7 1DTL BEP 7.45342
8 3A8H TAY 8.21256
9 4DA5 0H7 9.62801
10 4MPO AMP 11.7647
Pocket No.: 5; Query (leader) PDB : 2ZX7; Ligand: ZX7; 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: 2zx7.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2ZX7; Ligand: ZX7; 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: 2zx7.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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