Receptor
PDB id Resolution Class Description Source Keywords
3TKZ 1.8 Å EC: 3.1.3.48 STRUCTURE OF THE SHP-2 N-SH2 DOMAIN IN A 1:2 COMPLEX WITH RV PEPTIDE HOMO SAPIENS SH2 DOMAIN PROTEIN PROTEIN INTERACTIONS PTR RESIDUES HYDRPEPTIDE COMPLEX
Ref.: SIMULTANEOUS BINDING OF TWO PEPTIDYL LIGANDS BY A S HOMOLOGY 2 DOMAIN. BIOCHEMISTRY V. 50 7637 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARG VAL ILE PTR PHE VAL PRO LEU ASN ARG P:2;
Q:2;
 Valid;
Valid;
 none;
none;
 Kd = 1.2 uM
798.875 n/a P(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3TL0 2.05 Å EC: 3.1.3.48 STRUCTURE OF SHP2 N-SH2 DOMAIN IN COMPLEX WITH RLNPYAQLWHR P HOMO SAPIENS SH2 DOMAIN PROTEIN-PROTEIN INTERACTIONS PHOSPHORYLATED TYRHYDROLASE-PEPTIDE COMPLEX
Ref.: SIMULTANEOUS BINDING OF TWO PEPTIDYL LIGANDS BY A S HOMOLOGY 2 DOMAIN. BIOCHEMISTRY V. 50 7637 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 3TL0 Kd = 0.26 uM ARG LEU ASN PTR ALA GLN LEU TRP HIS ARG n/a n/a
2 3TKZ Kd = 1.2 uM ARG VAL ILE PTR PHE VAL PRO LEU ASN ARG n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 3TL0 Kd = 0.26 uM ARG LEU ASN PTR ALA GLN LEU TRP HIS ARG n/a n/a
2 3TKZ Kd = 1.2 uM ARG VAL ILE PTR PHE VAL PRO LEU ASN ARG n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 3TL0 Kd = 0.26 uM ARG LEU ASN PTR ALA GLN LEU TRP HIS ARG n/a n/a
2 3TKZ Kd = 1.2 uM ARG VAL ILE PTR PHE VAL PRO LEU ASN ARG n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ARG VAL ILE PTR PHE VAL PRO LEU ASN ARG; Similar ligands found: 29
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG VAL ILE PTR PHE VAL PRO LEU ASN ARG 1 1
2 ALA ILE ALA TYR PHE ILE PRO ASP GLN ALA 0.552846 0.850746
3 PRO GLN PTR ILE PTR VAL PRO ALA 0.536765 0.942857
4 ALA VAL ALA PHE TYR ILE PRO ASP GLN ALA 0.536 0.865672
5 SER PHE PHE GLU ASP ASN PHE VAL PRO GLU 0.523077 0.72
6 PHE GLU ASP ASN PHE VAL PRO 0.519685 0.75
7 LYS PRO PHE PTR VAL ASN VAL NH2 0.503546 0.888889
8 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.464052 0.915493
9 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.461039 0.876712
10 6NA PTR VAL ASN VAL 9PR 0.455882 0.864865
11 VAL TYR ILE HIS PRO PHE 0.451128 0.802817
12 PHE SER ALA PTR VAL SER GLU GLU ASP 0.449612 0.680556
13 PRO GLN PTR GLU PTR ILE PRO ALA 0.445205 0.928571
14 ALA PRO SER PTR VAL ASN VAL GLN ASN 0.441379 0.815789
15 ALA ASP PBF PTR LEU ILE PRO 0.43949 0.929577
16 PRO GLN PTR GLU GLU ILE PRO ILE 0.438356 0.9
17 GLU VAL PTR GLU SER PRO 0.437037 0.849315
18 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.432099 0.891892
19 ACE GLU HIS PHE ILE VAL PRO ASP LEU TYR 0.430464 0.739726
20 BE2 GLU PTR ILE ASN GLN NH2 0.427536 0.716216
21 ACE ARG TYR ALA VAL VAL PRO ASP GLU 0.42029 0.753425
22 PTR VAL PRO MET LEU 0.416058 0.887324
23 PHE SER ALA PTR PRO SER GLU GLU ASP 0.415493 0.861111
24 GLN ASN GLY PTR VAL ASN PRO THR TYR 0.408163 0.864865
25 ACE PTR GLU GLU ILE GLU 0.404959 0.710145
26 SER ASP PTR MET ASN MET THR PRO 0.402685 0.78481
27 LEU THR GLU PTR VAL ALA THR ARG 0.401639 0.666667
28 SER PTR VAL ASN VAL GLN ASN 0.401515 0.653333
29 SER PRO ILE VAL PRO SER PHE ASP MET 0.401316 0.683544
Similar Ligands (3D)
Ligand no: 1; Ligand: ARG VAL ILE PTR PHE VAL PRO LEU ASN ARG; 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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