Receptor
PDB id Resolution Class Description Source Keywords
4U5N 2.31 Å NON-ENZYME: TRANSPORT IMPORTIN-ALPHA MINOR NLS SITE INHIBITOR MUS MUSCULUS TPX2 IMPORTIN-ALPHA TRANSPORT PROTEIN
Ref.: SELECTIVE TARGETING OF THE TPX2 SITE OF IMPORTIN-AL FRAGMENT-BASED LIGAND DESIGN. CHEMMEDCHEM V. 10 1232 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3D4 A:501;
Valid;
none;
Kd = 3.3 mM
619.754 C33 H45 N7 O5 C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Y2A 2.2 Å NON-ENZYME: TRANSPORT STRUCTURE OF MAMMALIAN IMPORTIN BOUND TO THE NON-CLASSICAL PLSCR1-NLS MUS MUSCULUS ARMADILLO REPEAT; PROTEIN:PEPTIDE COMPLEX; SUPERHELIX OF HELICES PROTEIN TRANSPORT
Ref.: PHOSPHOLIPID SCRAMBLASE 1 CONTAINS A NONCLASSICAL NUCLEAR LOCALIZATION SIGNAL WITH UNIQUE BINDING SITE IN IMPORTIN ALPHA J.BIOL.CHEM. V. 280 10599 2005
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 4U54 Kd = 8.7 mM 3C5 C13 H14 N2 CNCc1cccc(....
2 4U5U Kd = 1.3 mM 3D2 C18 H24 N4 O c1cc(cc(c1....
3 4U5V Kd = 0.9 mM RH2 C16 H22 N4 O S c1cc(cnc1)....
4 4U5N Kd = 3.3 mM 3D4 C33 H45 N7 O5 C[C@H]([C@....
5 4U5O Kd = 3.8 mM 3D5 C18 H24 N4 O c1cc(cnc1)....
6 1Y2A Kd ~ 45.8 nM GLY LYS ILE SER LYS HIS TRP THR GLY ILE n/a n/a
7 4U5S Kd = 3.9 mM 3D0 C30 H45 N7 O6 C[C@@H]([C....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 4U54 Kd = 8.7 mM 3C5 C13 H14 N2 CNCc1cccc(....
2 4U5U Kd = 1.3 mM 3D2 C18 H24 N4 O c1cc(cc(c1....
3 4U5V Kd = 0.9 mM RH2 C16 H22 N4 O S c1cc(cnc1)....
4 4U5N Kd = 3.3 mM 3D4 C33 H45 N7 O5 C[C@H]([C@....
5 4U5O Kd = 3.8 mM 3D5 C18 H24 N4 O c1cc(cnc1)....
6 1Y2A Kd ~ 45.8 nM GLY LYS ILE SER LYS HIS TRP THR GLY ILE n/a n/a
7 4U5S Kd = 3.9 mM 3D0 C30 H45 N7 O6 C[C@@H]([C....
8 6D7M - SIN C4 H6 O4 C(CC(=O)O)....
9 3OQS - VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN n/a n/a
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 4RXH Kd = 1.23 uM PRO PRO LYS LYS LYS ARG LYS VAL n/a n/a
2 1EE4 - PRO ALA ALA LYS ARG VAL LYS LEU ASP n/a n/a
3 4U54 Kd = 8.7 mM 3C5 C13 H14 N2 CNCc1cccc(....
4 4U5U Kd = 1.3 mM 3D2 C18 H24 N4 O c1cc(cc(c1....
5 4U5V Kd = 0.9 mM RH2 C16 H22 N4 O S c1cc(cnc1)....
6 4U5N Kd = 3.3 mM 3D4 C33 H45 N7 O5 C[C@H]([C@....
7 4U5O Kd = 3.8 mM 3D5 C18 H24 N4 O c1cc(cnc1)....
8 1Y2A Kd ~ 45.8 nM GLY LYS ILE SER LYS HIS TRP THR GLY ILE n/a n/a
9 4U5S Kd = 3.9 mM 3D0 C30 H45 N7 O6 C[C@@H]([C....
10 6D7M - SIN C4 H6 O4 C(CC(=O)O)....
11 3OQS - VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 3D4; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 3D4 1 1
2 3D5 0.515152 0.75
Similar Ligands (3D)
Ligand no: 1; Ligand: 3D4; 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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