Receptor
PDB id Resolution Class Description Source Keywords
6dn5 2.4 Å NON-ENZYME: OTHER SPRY DOMAIN-CONTAINING SOCS BOX PROTEIN 2 COMPLEXED WITH WDI CYCLIC PEPTIDE INHIBITOR HOMO SAPIENS PROTEASOMAL DEGRADATION NITRIC OXIDE INHIBITOR IMMUNE SYSIMMUNE SYSTEM-INHIBITOR COMPLEX
Ref.: A CYCLIC PEPTIDE INHIBITOR OF THE INOS-SPSB PROTEIN INTERACTION AS A POTENTIAL ANTI-INFECTIVE AGENT. ACS CHEM. BIOL. V. 13 2930 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:302;
A:301;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
TRP ASP ILE ASN ASN ASN BAL B:1;
 Valid;
 none;
 Kd = 32 nM
826.845 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6DN6 1.59 Å NON-ENZYME: OTHER SPRY DOMAIN-CONTAINING SOCS BOX PROTEIN 2 COMPLEXED WITH INN CYCLIC PEPTIDE INHIBITOR HOMO SAPIENS PROTEASOMAL DEGRADATION NITRIC OXIDE INHIBITOR IMMUNE SYSIMMUNE SYSTEM-INHIBITOR COMPLEX
Ref.: A CYCLIC PEPTIDE INHIBITOR OF THE INOS-SPSB PROTEIN INTERACTION AS A POTENTIAL ANTI-INFECTIVE AGENT. ACS CHEM. BIOL. V. 13 2930 2018
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6DN6 Kd = 7 nM ILE ASN ASN ASN ABU n/a n/a
2 6DN5 Kd = 32 nM TRP ASP ILE ASN ASN ASN BAL 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: TRP ASP ILE ASN ASN ASN BAL; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 TRP ASP ILE ASN ASN ASN BAL 1 1
2 ILE ASN ASN ASN ABU 0.423077 0.810345
Similar Ligands (3D)
Ligand no: 1; Ligand: TRP ASP ILE ASN ASN ASN BAL; 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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