Receptor
PDB id Resolution Class Description Source Keywords
2OHV 2.5 Å EC: 5.1.1.3 STRUCTURAL BASIS FOR GLUTAMATE RACEMASE INHIBITION STREPTOCOCCUS PYOGENES M1 GAS ISOMERASE RACEMASE
Ref.: STRUCTURAL BASIS FOR GLUTAMATE RACEMASE INHIBITION J.MOL.BIOL. V. 372 434 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NHL A:400;
Valid;
none;
Ki = 16 nM
287.31 C16 H17 N O4 c1ccc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2OHV 2.5 Å EC: 5.1.1.3 STRUCTURAL BASIS FOR GLUTAMATE RACEMASE INHIBITION STREPTOCOCCUS PYOGENES M1 GAS ISOMERASE RACEMASE
Ref.: STRUCTURAL BASIS FOR GLUTAMATE RACEMASE INHIBITION J.MOL.BIOL. V. 372 434 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 2OHV Ki = 16 nM NHL C16 H17 N O4 c1ccc2cc(c....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 2JFV - FLC C6 H5 O7 C(C(=O)[O-....
2 2VVT ic50 = 5.8 uM I24 C22 H28 F2 N6 O2 CCCCOc1nc(....
3 2JFP - DGL C5 H9 N O4 C(CC(=O)O)....
4 2OHV Ki = 16 nM NHL C16 H17 N O4 c1ccc2cc(c....
50% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2JFV - FLC C6 H5 O7 C(C(=O)[O-....
2 2JFQ - DGL C5 H9 N O4 C(CC(=O)O)....
3 2DWU - DGL C5 H9 N O4 C(CC(=O)O)....
4 2JFO - DGL C5 H9 N O4 C(CC(=O)O)....
5 2VVT ic50 = 5.8 uM I24 C22 H28 F2 N6 O2 CCCCOc1nc(....
6 2JFP - DGL C5 H9 N O4 C(CC(=O)O)....
7 2OHV Ki = 16 nM NHL C16 H17 N O4 c1ccc2cc(c....
8 1B74 Ki = 50 mM DGN C5 H10 N2 O3 C(CC(=O)N)....
9 1ZUW - DGL C5 H9 N O4 C(CC(=O)O)....
10 2GZM - DGL C5 H9 N O4 C(CC(=O)O)....
11 4B1F - KRH C25 H26 N6 O2 CC(C)CN1c2....
12 2JFY - DGL C5 H9 N O4 C(CC(=O)O)....
13 2JFZ Ki = 5.8 uM 003 C26 H25 N5 O2 CC(C)CN1c2....
14 2W4I ic50 = 0.5 uM VGA C22 H19 N3 O S c1ccc(cc1)....
15 2JFX - DGL C5 H9 N O4 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NHL; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 NHL 1 1
2 NAL 0.72 0.866667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2OHV; Ligand: NHL; 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: 2ohv.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2OHV; Ligand: NHL; 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: 2ohv.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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