Receptor
PDB id Resolution Class Description Source Keywords
6T5J 1.6 Å EC: 3.6.1.9 STRUCTURE OF NUDT15 IN COMPLEX WITH INHIBITOR TH1760 HOMO SAPIENS NUDIX HYDROLASE INHIBITOR HYDROLASE
Ref.: DEVELOPMENT OF A CHEMICAL PROBE AGAINST NUDT15. NAT.CHEM.BIOL. V. 16 1120 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:204;
B:204;
 Invalid;
Invalid;
 none;
none;
 submit data
35.453 Cl [Cl-]
MKB B:201;
A:201;
 Valid;
Valid;
 none;
none;
 ic50 = 25 nM
426.446 C20 H18 N4 O5 S c1cc2...
MG B:202;
A:203;
A:202;
B:203;
 Part of Protein;
Invalid;
Part of Protein;
Invalid;
 none;
none;
none;
none;
 submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6T5J 1.6 Å EC: 3.6.1.9 STRUCTURE OF NUDT15 IN COMPLEX WITH INHIBITOR TH1760 HOMO SAPIENS NUDIX HYDROLASE INHIBITOR HYDROLASE
Ref.: DEVELOPMENT OF A CHEMICAL PROBE AGAINST NUDT15. NAT.CHEM.BIOL. V. 16 1120 2020
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 6T5J ic50 = 25 nM MKB C20 H18 N4 O5 S c1cc2c(cc[....
2 5LPG - 71V C10 H14 N5 O7 P S c1nc2c(n1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 6T5J ic50 = 25 nM MKB C20 H18 N4 O5 S c1cc2c(cc[....
2 5LPG - 71V C10 H14 N5 O7 P S c1nc2c(n1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6T5J ic50 = 25 nM MKB C20 H18 N4 O5 S c1cc2c(cc[....
2 5LPG - 71V C10 H14 N5 O7 P S c1nc2c(n1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MKB; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 MKB 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: MKB; Similar ligands found: 4
No: Ligand Similarity coefficient
1 RRP 0.9044
2 GS5 0.9023
3 GSQ 0.8992
4 D01 0.8915
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6T5J; Ligand: MKB; 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: 6t5j.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6T5J; Ligand: MKB; 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: 6t5j.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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