Receptor
PDB id Resolution Class Description Source Keywords
7CM1 2.14 Å EC: 3.2.1.18 NEURAMINIDASE FROM THE WUHAN ASIATIC TOAD INFLUENZA VIRUS WUHAN ASIATIC TOAD INFLUENZA VIRUS LATTICE-TRANSLOCATION DEFECTS LTD NEURAMINIDASE NA VIRAL PRHYDROLASE
Ref.: LATTICE-TRANSLOCATION DEFECTS IN SPECIFIC CRYSTALS CATALYTIC HEAD DOMAIN OF INFLUENZA NEURAMINIDASE. ACTA CRYSTALLOGR D STRUCT V. 76 1057 2020 BIOL
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
G39 A:602;
B:602;
 Valid;
Valid;
 none;
none;
 submit data
284.351 C14 H24 N2 O4 CCC(C...
CA A:601;
B:601;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
7CM1 2.14 Å EC: 3.2.1.18 NEURAMINIDASE FROM THE WUHAN ASIATIC TOAD INFLUENZA VIRUS WUHAN ASIATIC TOAD INFLUENZA VIRUS LATTICE-TRANSLOCATION DEFECTS LTD NEURAMINIDASE NA VIRAL PRHYDROLASE
Ref.: LATTICE-TRANSLOCATION DEFECTS IN SPECIFIC CRYSTALS CATALYTIC HEAD DOMAIN OF INFLUENZA NEURAMINIDASE. ACTA CRYSTALLOGR D STRUCT V. 76 1057 2020 BIOL
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 30 families.
1 7CM1 - G39 C14 H24 N2 O4 CCC(CC)O[C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 7CM1 - G39 C14 H24 N2 O4 CCC(CC)O[C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 7CM1 - G39 C14 H24 N2 O4 CCC(CC)O[C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: G39; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 G39 1 1
2 22N 1 1
3 EEW 0.560606 0.759259
4 2H8 0.5 0.911111
5 EF8 0.436782 0.602941
Similar Ligands (3D)
Ligand no: 1; Ligand: G39; Similar ligands found: 30
No: Ligand Similarity coefficient
1 0HX 0.9804
2 G28 0.9526
3 9AM 0.9412
4 DF4 0.9330
5 EQP 0.9274
6 49A 0.9272
7 DAN 0.9193
8 E3M 0.9185
9 GC9 0.9165
10 4AM 0.9151
11 SLB 0.9133
12 ST4 0.9005
13 SIA 0.8962
14 NG1 0.8936
15 9GW 0.8932
16 AXP 0.8927
17 AMU 0.8922
18 9GQ 0.8861
19 ST1 0.8840
20 9GT 0.8823
21 9GN 0.8808
22 SKD 0.8797
23 KB8 0.8776
24 ZY6 0.8767
25 5M8 0.8758
26 NGE 0.8739
27 9GZ 0.8735
28 ST5 0.8686
29 QVK 0.8673
30 FDI 0.8570
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 7CM1; Ligand: G39; Similar sites found with APoc: 11
This union binding pocket(no: 1) in the query (biounit: 7cm1.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3TIC ZMR 26.615
2 3TIC ZMR 26.615
3 3TIC ZMR 26.615
4 3TIC ZMR 26.615
5 4WA4 G39 36.9509
6 4B7J G39 37.2093
7 4HZX G39 39.0181
8 4QN6 LNV 41.8605
9 4QN6 LNV 41.8605
10 4QN7 G39 43.1525
11 4QN7 G39 43.1525
Pocket No.: 2; Query (leader) PDB : 7CM1; Ligand: G39; 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: 7cm1.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 7CM1; Ligand: G39; Similar sites found with APoc: 2
This union binding pocket(no: 3) in the query (biounit: 7cm1.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 4WA4 G39 36.9509
2 4QN7 G39 43.1525
Pocket No.: 4; Query (leader) PDB : 7CM1; Ligand: G39; 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: 7cm1.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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