Receptor
PDB id Resolution Class Description Source Keywords
6BKK 2 Å NON-ENZYME: OTHER INFLUENZA A M2 TRANSMEMBRANE DOMAIN BOUND TO AMANTADINE INFLUENZA A VIRUS INFLUENZA M2 PROTON CHANNEL MEMBRANE PROTEIN AMANTADINE
Ref.: INHIBITORS OF THE M2 PROTON CHANNEL ENGAGE AND DISR TRANSMEMBRANE NETWORKS OF HYDROGEN-BONDED WATERS. J. AM. CHEM. SOC. V. 140 15219 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
308 B:101;
F:101;
Valid;
Valid;
none;
none;
submit data
151.249 C10 H17 N C1C2C...
CL C:101;
E:101;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6BKK 2 Å NON-ENZYME: OTHER INFLUENZA A M2 TRANSMEMBRANE DOMAIN BOUND TO AMANTADINE INFLUENZA A VIRUS INFLUENZA M2 PROTON CHANNEL MEMBRANE PROTEIN AMANTADINE
Ref.: INHIBITORS OF THE M2 PROTON CHANNEL ENGAGE AND DISR TRANSMEMBRANE NETWORKS OF HYDROGEN-BONDED WATERS. J. AM. CHEM. SOC. V. 140 15219 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6BKK - 308 C10 H17 N C1C2CC3CC1....
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 6BKK - 308 C10 H17 N C1C2CC3CC1....
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 6BKK - 308 C10 H17 N C1C2CC3CC1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 308; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 308 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 308; Similar ligands found: 49
No: Ligand Similarity coefficient
1 ADM 0.9669
2 RIM 0.9660
3 EU7 0.9660
4 CNL 0.9565
5 CAH 0.9393
6 ADO 0.9365
7 SVJ 0.9207
8 CAM 0.9154
9 2BN 0.9152
10 CAE 0.9118
11 PTO 0.9109
12 BMA 0.9052
13 TMH 0.9042
14 TNE 0.9019
15 TLA 0.8993
16 NCM 0.8975
17 4PW 0.8940
18 PAV 0.8936
19 OFQ 0.8935
20 FUL 0.8923
21 TCM 0.8909
22 BFM 0.8896
23 BDR 0.8870
24 RIP 0.8849
25 AHR 0.8844
26 FAC 0.8838
27 AI2 0.8830
28 3DY 0.8827
29 34V 0.8791
30 XYP 0.8790
31 RUU 0.8788
32 XYS 0.8773
33 ASP 0.8752
34 0MK 0.8749
35 GLC 0.8744
36 FRU 0.8730
37 DZX 0.8730
38 Z6J 0.8724
39 3SY 0.8719
40 WTZ 0.8718
41 4P0 0.8700
42 IFL 0.8686
43 PBE 0.8684
44 FLC 0.8680
45 PAF 0.8677
46 DAS 0.8653
47 CGB 0.8633
48 DMJ 0.8586
49 CIT 0.8520
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6BKK; Ligand: 308; 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: 6bkk.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6BKK; Ligand: 308; 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: 6bkk.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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