Receptor
PDB id Resolution Class Description Source Keywords
6O1G 2.2 Å EC: 3.4.21.34 FULL LENGTH HUMAN PLASMA KALLIKREIN WITH INHIBITOR HOMO SAPIENS PROTEASE BLOOD CLOTTING
Ref.: STRUCTURES OF FULL-LENGTH PLASMA KALLIKREIN BOUND T SPECIFIC INHIBITORS DESCRIBE A NEW MODE OF TARGETED INHIBITION. J.STRUCT.BIOL. V. 206 170 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG A:701;
A:702;
 Invalid;
Invalid;
 none;
none;
 submit data
221.208 C8 H15 N O6 CC(=O...
7SD A:703;
 Valid;
 none;
 ic50 = 0.001 uM
415.491 C23 H25 N7 O Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6O1G 2.2 Å EC: 3.4.21.34 FULL LENGTH HUMAN PLASMA KALLIKREIN WITH INHIBITOR HOMO SAPIENS PROTEASE BLOOD CLOTTING
Ref.: STRUCTURES OF FULL-LENGTH PLASMA KALLIKREIN BOUND T SPECIFIC INHIBITORS DESCRIBE A NEW MODE OF TARGETED INHIBITION. J.STRUCT.BIOL. V. 206 170 2019
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6I44 - BAM C7 H9 N2 c1ccc(cc1)....
2 6O1G ic50 = 0.001 uM 7SD C23 H25 N7 O Cc1cc(nc(c....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6I44 - BAM C7 H9 N2 c1ccc(cc1)....
2 6O1G ic50 = 0.001 uM 7SD C23 H25 N7 O Cc1cc(nc(c....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6I44 - BAM C7 H9 N2 c1ccc(cc1)....
2 6O1G ic50 = 0.001 uM 7SD C23 H25 N7 O Cc1cc(nc(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 7SD; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 7SD 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 7SD; 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 : 6O1G; Ligand: 7SD; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 6o1g.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 1FIW PBZ 48.9655
APoc FAQ
Feedback