Receptor
PDB id Resolution Class Description Source Keywords
2AWU 2.44 Å NON-ENZYME: OTHER SYNAPSE ASSOCIATED PROTEIN 97 PDZ2 DOMAIN VARIANT C378G RATTUS NORVEGICUS MEMBRANE PROTEIN SYNAPTIC SIGNALING TRAFFICKING PROTEIN
Ref.: CRYSTAL STRUCTURE OF THE SECOND PDZ DOMAIN OF SAP97 COMPLEX WITH A GLUR-A C-TERMINAL PEPTIDE FEBS J. V. 273 5219 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA HIS HIS C:5;
 Valid;
 none;
 submit data
363.378 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2AWX 1.8 Å NON-ENZYME: OTHER SYNAPSE ASSOCIATED PROTEIN 97 PDZ2 DOMAIN VARIANT C378S RATTUS NORVEGICUS MEMBRANE PROTEIN SYNAPTIC SIGNALING TRAFFICKING PROTEIN
Ref.: CRYSTAL STRUCTURE OF THE SECOND PDZ DOMAIN OF SAP97 COMPLEX WITH A GLUR-A C-TERMINAL PEPTIDE FEBS J. V. 273 5219 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 2AWX - HIS HIS n/a n/a
2 2AWU - ALA HIS HIS n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 2AWX - HIS HIS n/a n/a
2 2AWU - ALA HIS HIS n/a n/a
3 2I0L - ARG ARG ARG GLU THR GLN VAL n/a n/a
50% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 6MS1 Kd = 5970 nM GLY SER TYR LEU VAL THR SER VAL n/a n/a
2 3DIW Kd = 0.19 uM ASN GLN LEU ALA TRP PHE ASP THR ASP LEU n/a n/a
3 2AWX - HIS HIS n/a n/a
4 2AWU - ALA HIS HIS n/a n/a
5 6Q0U - TYR TYR GLU SER GLY TRP LEU n/a n/a
6 1MFL Kd ~ 128 uM GLU PTR LEU GLY LEU ASP VAL PRO VAL n/a n/a
7 6Q0M - TYR TYR GLU SER ASP TRP LEU n/a n/a
8 6Q0N - THR GLY TYR GLU THR TRP VAL n/a n/a
9 1MFG Kd ~ 50 uM GLU TYR LEU GLY LEU ASP VAL PRO VAL n/a n/a
10 5WOU Kd = 664 nM LEU PRO SER PHE GLU THR ALA LEU n/a n/a
11 6MTU Kd = 6083 nM PRO HIS THR ASN GLU THR SEP LEU n/a n/a
12 5VWK - PRO ALA TRP ASP GLU THR ASN LEU n/a n/a
13 5VWI - PRO ALA TRP ASP GLU THR ASN LEU n/a n/a
14 2I0L - ARG ARG ARG GLU THR GLN VAL n/a n/a
15 1N7F - ALA THR VAL ARG THR TYR SER CYS n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ALA HIS HIS; Similar ligands found: 29
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA HIS HIS 1 1
2 ALA HIS HIS ALA 0.693548 0.930233
3 ALA HIS ALA 0.688525 0.883721
4 ALA ILE HIS 0.651515 0.911111
5 LYS HIS LYS 0.569444 0.833333
6 ASP HIS ASP ALA HIS ALA 0.506173 0.913043
7 ALA HIS ALA LYS ALA 0.506024 0.795918
8 PRO HIS ARG VAL 0.45977 0.773585
9 ALA LYS PHE ARG HIS ASP 0.45098 0.75
10 VAL LEU HIS ASP ASP LEU LEU GLU ALA 0.445652 0.836735
11 PHE ASN GLU LEU SER HIS LEU 0.444444 0.759259
12 GLY HIS GLY 0.442857 0.787234
13 ALA SER ASN GLU HIS MET GLU THR MET 0.442308 0.683333
14 HIS HIS HIS HIS HIS GLY SER 0.439024 0.8
15 LYS SER HIS GLN GLU 0.43617 0.740741
16 ACE PHE HIS ALA ALA NH2 0.435294 0.888889
17 ARG VAL LYS GLU LYS TYR GLN HIS LEU TRP 0.43299 0.857143
18 GLY SER SER HIS HIS HIS HIS HIS 0.432099 0.754717
19 AOZ 0.430769 0.795455
20 LYS GLY HIS HIS HIS HIS HIS HIS 0.43038 0.822222
21 ACE PHE HIS THR ALA NH2 0.422222 0.82
22 THR ASP HIS GLY ALA GLU 0.421053 0.732143
23 ACE PHE HIS THR ABA NH2 0.417582 0.803922
24 GLU LYS VAL HIS VAL GLN 0.414141 0.803922
25 GLY ALA ARG ALA HIS SER SER 0.414141 0.672131
26 GLN GLY HIS GLY GLU 0.413793 0.816327
27 VAL VAL SER HIS PHE ASN ASP 0.407767 0.777778
28 8V0 0.405797 0.745098
29 ARG HIS ARG MLY VAL LEU ARG ASP ASN 0.405172 0.61194
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA HIS HIS; 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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