Receptor
PDB id Resolution Class Description Source Keywords
3nzw 2.5 Å EC: 3.4.25.1 CRYSTAL STRUCTURE OF THE YEAST 20S PROTEASOME IN COMPLEX WIT SACCHAROMYCES CEREVISIAE UBIQUITIN PROTEIN DEGRADATION N-TERMINAL NUCLEOPHILIC HYDR19S REGULATORY PARTICLE UBIQUITIN-TAGGED SUBSTRATES CYTOSNUCLEUS HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: 20S PROTEASOME INHIBITION: DESIGNING NONCOVALENT LI PEPTIDE MIMICS OF THE NATURAL PRODUCT TMC-95A. CHEMMEDCHEM V. 5 1701 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BOC TY5 ALA RE0 ABN 3:1;
4:1;
Valid;
Valid;
none;
none;
ic50 = 1.5 uM
749.865 n/a O=C(O...
MES K:212;
Y:212;
Invalid;
Invalid;
none;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3NZW 2.5 Å EC: 3.4.25.1 CRYSTAL STRUCTURE OF THE YEAST 20S PROTEASOME IN COMPLEX WIT SACCHAROMYCES CEREVISIAE UBIQUITIN PROTEIN DEGRADATION N-TERMINAL NUCLEOPHILIC HYDR19S REGULATORY PARTICLE UBIQUITIN-TAGGED SUBSTRATES CYTOSNUCLEUS HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: 20S PROTEASOME INHIBITION: DESIGNING NONCOVALENT LI PEPTIDE MIMICS OF THE NATURAL PRODUCT TMC-95A. CHEMMEDCHEM V. 5 1701 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3NZW ic50 = 1.5 uM BOC TY5 ALA RE0 ABN n/a n/a
2 3NZJ - BOC TY5 ALA TRO ABN 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 2 families.
1 3NZW ic50 = 1.5 uM BOC TY5 ALA RE0 ABN n/a n/a
2 3NZJ - BOC TY5 ALA TRO ABN n/a n/a
3 6H39 - FGY C27 H35 N5 O6 C[C@@H](C(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3NZW ic50 = 1.5 uM BOC TY5 ALA RE0 ABN n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BOC TY5 ALA RE0 ABN; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 BOC TY5 ALA RE0 ABN 1 1
2 BOC TY5 ALA TRO ABN 0.656 0.904762
Similar Ligands (3D)
Ligand no: 1; Ligand: BOC TY5 ALA RE0 ABN; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3NZW; Ligand: BOC TY5 ALA RE0 ABN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3nzw.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3NZW; Ligand: BOC TY5 ALA RE0 ABN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3nzw.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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