Receptor
PDB id Resolution Class Description Source Keywords
6BKL 2 Å NON-ENZYME: OTHER INFLUENZA A M2 TRANSMEMBRANE DOMAIN BOUND TO RIMANTADINE INFLUENZA A VIRUS INFLUENZA M2 PROTON CHANNEL MEMBRANE PROTEIN RIMANTADINE
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
EU7 G:101;
C:101;
 Valid;
Valid;
 none;
none;
 submit data
179.302 C12 H21 N C[C@@...
RIM D:101;
F:101;
 Valid;
Valid;
 none;
none;
 submit data
179.302 C12 H21 N C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6BKL 2 Å NON-ENZYME: OTHER INFLUENZA A M2 TRANSMEMBRANE DOMAIN BOUND TO RIMANTADINE INFLUENZA A VIRUS INFLUENZA M2 PROTON CHANNEL MEMBRANE PROTEIN RIMANTADINE
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 6BKL - RIM C12 H21 N C[C@H](C12....
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 6BKL - RIM C12 H21 N C[C@H](C12....
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 6BKL - RIM C12 H21 N C[C@H](C12....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: EU7; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 RIM 1 1
2 EU7 1 1
Ligand no: 2; Ligand: RIM; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 RIM 1 1
2 EU7 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: EU7; Similar ligands found: 33
No: Ligand Similarity coefficient
1 308 0.9660
2 AI2 0.9184
3 OFQ 0.9141
4 4P0 0.9051
5 CNL 0.8977
6 AXM 0.8927
7 1U5 0.8877
8 CAH 0.8876
9 GTK 0.8869
10 SKM 0.8839
11 FLC 0.8800
12 FRU 0.8763
13 DZX 0.8719
14 QIC 0.8698
15 PTO 0.8687
16 RNS 0.8683
17 GCS 0.8676
18 OAF 0.8675
19 AHR 0.8674
20 BFM 0.8668
21 DHS 0.8659
22 Z6J 0.8652
23 CIT 0.8640
24 TNE 0.8640
25 KPL 0.8639
26 E01 0.8636
27 2C2 0.8617
28 NHG 0.8613
29 0OC 0.8583
30 ADO 0.8569
31 APG 0.8542
32 7A2 0.8518
33 HIS 0.8518
Ligand no: 2; Ligand: RIM; Similar ligands found: 39
No: Ligand Similarity coefficient
1 308 0.9660
2 AI2 0.9178
3 4P0 0.9070
4 OFQ 0.9055
5 CNL 0.8978
6 CAH 0.8953
7 AXM 0.8915
8 GTK 0.8908
9 1U5 0.8856
10 SKM 0.8816
11 FLC 0.8800
12 FRU 0.8773
13 QIC 0.8744
14 DZX 0.8723
15 KPL 0.8699
16 PTO 0.8691
17 CIT 0.8689
18 PBE 0.8689
19 OAF 0.8688
20 AHR 0.8682
21 GCS 0.8675
22 9RH 0.8667
23 Z6J 0.8654
24 E01 0.8654
25 0OC 0.8644
26 TNE 0.8642
27 BMA 0.8637
28 2C2 0.8627
29 RNS 0.8627
30 K2Q 0.8613
31 NHG 0.8600
32 RUU 0.8599
33 ADO 0.8597
34 SVJ 0.8592
35 BFM 0.8582
36 APG 0.8575
37 CAM 0.8551
38 CAX 0.8546
39 7A2 0.8532
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6BKL; Ligand: RIM; 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: 6bkl.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6BKL; Ligand: EU7; 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: 6bkl.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6BKL; Ligand: RIM; 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: 6bkl.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6BKL; Ligand: EU7; 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: 6bkl.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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