Receptor
PDB id Resolution Class Description Source Keywords
5axi 2.5 Å EC: 6.3.2.- CRYSTAL STRUCTURE OF CBL-B TKB DOMAIN IN COMPLEX WITH CBLIN MUS MUSCULUS UBQUITIN LIGASE PHOSPHOPEPTIDE CBLIN LIGASE-LIGASE INHIBICOMPLEX
Ref.: STRUCTURAL ANALYSIS OF THE TKB DOMAIN OF UBIQUITIN CBL-B COMPLEXED WITH ITS SMALL INHIBITORY PEPTIDE, ARCH.BIOCHEM.BIOPHYS. V. 594 1 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL B:402;
A:403;
A:402;
A:404;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
35.453 Cl [Cl-]
CA B:401;
C:401;
A:401;
 Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
 submit data
40.078 Ca [Ca+2...
ASP GLY PTR MET PRO E:1;
 Valid;
 none;
 ic50 = 120 uM
658.602 n/a S(CCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5AXI 2.5 Å EC: 6.3.2.- CRYSTAL STRUCTURE OF CBL-B TKB DOMAIN IN COMPLEX WITH CBLIN MUS MUSCULUS UBQUITIN LIGASE PHOSPHOPEPTIDE CBLIN LIGASE-LIGASE INHIBICOMPLEX
Ref.: STRUCTURAL ANALYSIS OF THE TKB DOMAIN OF UBIQUITIN CBL-B COMPLEXED WITH ITS SMALL INHIBITORY PEPTIDE, ARCH.BIOCHEM.BIOPHYS. V. 594 1 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 41 families.
1 5AXI ic50 = 120 uM ASP GLY PTR MET PRO n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 5AXI ic50 = 120 uM ASP GLY PTR MET PRO n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 5AXI ic50 = 120 uM ASP GLY PTR MET PRO n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ASP GLY PTR MET PRO; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP GLY PTR MET PRO 1 1
2 SER ASP PTR MET ASN MET THR PRO 0.590909 0.92
3 GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.547445 0.9
4 GLU VAL PTR GLU SER PRO 0.523438 0.864865
5 ACE ASP PTR ALA GLU PRO MET ASP ALA NH2 0.489655 0.957747
6 PTR VAL PRO MET LEU 0.48855 0.929577
7 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.480263 0.878378
8 ILE SER TYR GLY ASN ASP ALA LEU MET PRO 0.480263 0.805195
9 GLY PHE GLU PRO 0.456897 0.724638
10 ALA LEU MET PRO GLY GLN PHE PHE VAL 0.435374 0.767123
11 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.434483 0.876712
12 GLU PHE SER PRO 0.425 0.708333
13 ACE PTR GLU DIY 0.423077 0.8
14 6NA PTR VAL ASN VAL 9PR 0.421429 0.855263
15 GLY PHE ARG PRO 0.419355 0.689189
16 ASP ILE ASN TYR TYR THR SER GLU PRO 0.412162 0.74359
17 ASN LYS PTR GLY ASN CA 0.410853 0.760563
18 GLN ASN GLY PTR VAL ASN PRO THR TYR 0.405405 0.831169
19 ACE PTR GLU GLU GLY 0.401709 0.742857
20 LYS PRO PHE PTR VAL ASN VAL NH2 0.401316 0.828947
21 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.401274 0.75
22 ASP ILE ASN TYR TYR ALA SER GLU PRO 0.4 0.74359
23 ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU 0.4 0.783133
Similar Ligands (3D)
Ligand no: 1; Ligand: ASP GLY PTR MET PRO; 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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