Receptor
PDB id Resolution Class Description Source Keywords
5JNW 1.86 Å EC: 3.1.3.48 CRYSTAL STRUCTURE OF BOVINE LOW MOLECULAR WEIGHT PROTEIN TYR PHOSPHATASE (LMPTP) MUTANT (W49Y N50E) COMPLEXED WITH VANADU NCOMPETITIVE INHIBITOR BOS TAURUS PROTEIN TYROSINE PHOSPHATASE HYDROLASE LMW-PTP LMPTP HYDHYDROLASE INHIBITOR COMPLEX
Ref.: DIABETES REVERSAL BY INHIBITION OF THE LOW-MOLECULA TYROSINE PHOSPHATASE. NAT. CHEM. BIOL. V. 13 624 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
VO4 A:201;
Invalid;
none;
submit data
114.939 O4 V [O-][...
6LJ A:202;
Valid;
Atoms found MORE than expected: % Diff = 2;
ic50 = 0.46 uM
370.49 C24 H26 N4 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5JNW 1.86 Å EC: 3.1.3.48 CRYSTAL STRUCTURE OF BOVINE LOW MOLECULAR WEIGHT PROTEIN TYR PHOSPHATASE (LMPTP) MUTANT (W49Y N50E) COMPLEXED WITH VANADU NCOMPETITIVE INHIBITOR BOS TAURUS PROTEIN TYROSINE PHOSPHATASE HYDROLASE LMW-PTP LMPTP HYDHYDROLASE INHIBITOR COMPLEX
Ref.: DIABETES REVERSAL BY INHIBITION OF THE LOW-MOLECULA TYROSINE PHOSPHATASE. NAT. CHEM. BIOL. V. 13 624 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 5JNW ic50 = 0.46 uM 6LJ C24 H26 N4 c1ccc(c(c1....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 5KQL - 6VY C14 H13 N O4 S c1ccc(cc1)....
2 4Z9B - B85 C7 H9 O3 P c1ccc(cc1)....
3 5KQG Ki = 3.2 uM 6VX C15 H12 N2 O4 S2 c1ccc(cc1)....
4 5JNW ic50 = 0.46 uM 6LJ C24 H26 N4 c1ccc(c(c1....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 5KQL - 6VY C14 H13 N O4 S c1ccc(cc1)....
2 4Z9B - B85 C7 H9 O3 P c1ccc(cc1)....
3 5KQG Ki = 3.2 uM 6VX C15 H12 N2 O4 S2 c1ccc(cc1)....
4 1D1Q - 4NP C6 H6 N O6 P c1cc(ccc1[....
5 1D2A - ADE C5 H5 N5 c1[nH]c2c(....
6 5JNW ic50 = 0.46 uM 6LJ C24 H26 N4 c1ccc(c(c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 6LJ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 6LJ 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 6LJ; 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 : 5JNW; Ligand: 6LJ; 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: 5jnw.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback