Receptor
PDB id Resolution Class Description Source Keywords
6ZFM 1.9 Å NON-ENZYME: TOXIN_VIRAL STRUCTURE OF ALPHA-COBRATOXIN WITH A PEPTIDE INHIBITOR NAJA KAOUTHIA COBRATOXIN INHIBITOR THREE-FINGER TOXIN TOXIN
Ref.: PEPTIDE INHIBITORS OF THE ALPHA-COBRATOXIN-NICOTINI ACETYLCHOLINE RECEPTOR INTERACTION. J.MED.CHEM. V. 63 13709 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TYR MET TRP ASP GLY TRP TYR MET QJE C:2;
F:2;
 Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.087;
Atoms found LESS than expected: % Diff = 0.087;
 Ki = 26 uM
1265.43 n/a S(CCC...
1PE F:102;
 Invalid;
 none;
 submit data
238.278 C10 H22 O6 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6ZFM 1.9 Å NON-ENZYME: TOXIN_VIRAL STRUCTURE OF ALPHA-COBRATOXIN WITH A PEPTIDE INHIBITOR NAJA KAOUTHIA COBRATOXIN INHIBITOR THREE-FINGER TOXIN TOXIN
Ref.: PEPTIDE INHIBITORS OF THE ALPHA-COBRATOXIN-NICOTINI ACETYLCHOLINE RECEPTOR INTERACTION. J.MED.CHEM. V. 63 13709 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 64 families.
1 6ZFM Ki = 26 uM TYR MET TRP ASP GLY TRP TYR MET QJE n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 44 families.
1 6ZFM Ki = 26 uM TYR MET TRP ASP GLY TRP TYR MET QJE n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 36 families.
1 6ZFM Ki = 26 uM TYR MET TRP ASP GLY TRP TYR MET QJE n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TYR MET TRP ASP GLY TRP TYR MET QJE; Similar ligands found: 24
No: Ligand ECFP6 Tc MDL keys Tc
1 TYR MET TRP ASP GLY TRP TYR MET QJE 1 1
2 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.550296 0.824324
3 ASP SER TRP LYS ASP GLY CYS TYR 0.540881 0.814286
4 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.506173 0.828571
5 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.505952 0.842857
6 MET LEU ILE TYR SER MET TRP GLY LYS 0.497143 0.875
7 GLY LEU MET TRP LEU SER TYR PHE VAL 0.487654 0.84507
8 ILE ASP TRP PHE ASP GLY LYS GLU 0.481707 0.757143
9 ILE ASP TRP PHE ASP GLY LYS ASP 0.469136 0.757143
10 ILE ASP TRP PHE GLU GLY LYS GLU 0.45509 0.757143
11 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.450617 0.760563
12 SER SER VAL VAL GLY VAL TRP TYR LEU 0.447853 0.774648
13 ALA SER ASN GLU ASN TRP GLU THR MET 0.44375 0.802817
14 MET ASP TRP ASN MET HIS ALA ALA 0.442424 0.736111
15 MET TYR TRP TYR PRO TYR 0.442424 0.76
16 8LR GLY TRP TYR XSN 0.441718 0.734177
17 VAL CYS TRP GLY GLU LEU MET ASN LEU 0.441176 0.763889
18 ASP ASN TRP GLN ASN GLY THR SER 0.438272 0.732394
19 SER SER VAL ILE GLY VAL TRP TYR LEU 0.431953 0.763889
20 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.428571 0.657143
21 GLY SER HIS LEU GLU VAL GLN GLY TYR TRP 0.411765 0.794521
22 GLU LEU ASP HOX TRP ALA SER 0.409639 0.722222
23 SER ARG TYR TRP ALA ILE ARG THR ARG 0.407821 0.786667
24 ASP GLU ASP LYS TRP ASP ASP PHE 0.403846 0.710145
Similar Ligands (3D)
Ligand no: 1; Ligand: TYR MET TRP ASP GLY TRP TYR MET QJE; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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