Receptor
PDB id Resolution Class Description Source Keywords
5xn3 1.34 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF SPSB2 IN COMPLEX WITH A RATIONAL DESIGN CONTAINING CYCLIC PEPTIDE INHIBITOR OF SPSB2-INOS INTERACTI HOMO SAPIENS E3 UBIQUITIN LIGASE CYCLIC PEPTIDE INHIBITOR SPRY DOMAIN-CONTAINING SOCS BOX PROTEIN INDUCIBLE NITRIC OXIDE SYNTHANITRIC OXIDE PROTEIN BINDING-INHIBITOR COMPLEX
Ref.: CRYSTAL STRUCTURE OF SPSB2 IN COMPLEX WITH A RATION DESIGNED RGD-CONTAINING CYCLIC PEPTIDE INHIBITOR OF SPSB2-INOS INTERACTION. BIOCHEM. BIOPHYS. RES. V. 489 346 2017 COMMUN.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARG GLY ASP ILE ASN ASN ASN VAL B:1;
 Valid;
 none;
 Kd = 671 nM
885.958 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5XN3 1.34 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF SPSB2 IN COMPLEX WITH A RATIONAL DESIGN CONTAINING CYCLIC PEPTIDE INHIBITOR OF SPSB2-INOS INTERACTI HOMO SAPIENS E3 UBIQUITIN LIGASE CYCLIC PEPTIDE INHIBITOR SPRY DOMAIN-CONTAINING SOCS BOX PROTEIN INDUCIBLE NITRIC OXIDE SYNTHANITRIC OXIDE PROTEIN BINDING-INHIBITOR COMPLEX
Ref.: CRYSTAL STRUCTURE OF SPSB2 IN COMPLEX WITH A RATION DESIGNED RGD-CONTAINING CYCLIC PEPTIDE INHIBITOR OF SPSB2-INOS INTERACTION. BIOCHEM. BIOPHYS. RES. V. 489 346 2017 COMMUN.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5XN3 Kd = 671 nM ARG GLY ASP ILE ASN ASN ASN VAL n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5XN3 Kd = 671 nM ARG GLY ASP ILE ASN ASN ASN VAL n/a n/a
2 6DN6 Kd = 7 nM ILE ASN ASN ASN ABU n/a n/a
3 6DN5 Kd = 32 nM TRP ASP ILE ASN ASN ASN BAL n/a n/a
4 6DN8 - GZJ VAL ASP ILE ASN ASN ASN CY3 n/a n/a
5 6DN7 - TRP ASP ILE ASN ASN ASN BAL n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5XN3 Kd = 671 nM ARG GLY ASP ILE ASN ASN ASN VAL n/a n/a
2 6DN6 Kd = 7 nM ILE ASN ASN ASN ABU n/a n/a
3 6DN5 Kd = 32 nM TRP ASP ILE ASN ASN ASN BAL n/a n/a
4 6DN8 - GZJ VAL ASP ILE ASN ASN ASN CY3 n/a n/a
5 6DN7 - TRP ASP ILE ASN ASN ASN BAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ARG GLY ASP ILE ASN ASN ASN VAL; Similar ligands found: 28
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG GLY ASP ILE ASN ASN ASN VAL 1 1
2 ARG GLY ASP 0.526882 0.826923
3 ALA ARG LYS ILE ASP ASN LEU ASP 0.5 0.944444
4 ARG ASP ALA ALA 0.489583 0.826923
5 SER ARG LYS ILE ASP ASN LEU ASP 0.484127 0.894737
6 ARG ABA PHE ILE PHE ALA ASN ILE 0.48 0.842105
7 ARG ILE ALA ALA ALA 0.458333 0.788462
8 ARG ABA VAL ILE PHE ALA ASN ILE 0.457364 0.890909
9 ARG GLY THR 0.44898 0.781818
10 ARG ARG GLY ILE NH2 0.441176 0.865385
11 GLY ARG GLY ASP SER PRO 0.423423 0.781818
12 ARG ILE MET GLU NH2 0.421053 0.803571
13 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.42029 0.816667
14 ALA ASP LYS ILE ASP ASN LEU ASP 0.420168 0.849057
15 VAL GLY ILE THR ASN VAL ASP LEU 0.418033 0.781818
16 ALA LEU LYS ILE ASP ASN LEU ASP 0.416667 0.849057
17 ARG ILE PHE SER 0.415254 0.741379
18 ASP LEU LYS ILE ASP ASN LEU ASP 0.409836 0.849057
19 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.409722 0.777778
20 ALA ILE ARG SER 0.407407 0.781818
21 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.406897 0.827586
22 SER ASP LYS ILE ASP ASN LEU ASP 0.406504 0.803571
23 GLN ILE LYS VAL ARG VAL ASP MET VAL 0.406015 0.810345
24 ASN ARG LEU ILE LEU THR GLY 0.405172 0.903846
25 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.403226 0.851852
26 SER LEU LYS ILE ASP ASN LEU ASP 0.403226 0.803571
27 ARG TYR GLY PHE VAL ALA ASN PHE 0.402878 0.803279
28 ALA THR LYS ILE ASP ASN LEU ASP 0.4 0.803571
Similar Ligands (3D)
Ligand no: 1; Ligand: ARG GLY ASP ILE ASN ASN ASN VAL; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
Feedback