Receptor
PDB id Resolution Class Description Source Keywords
4CIK 1.78 Å EC: 3.4.21.7 PLASMINOGEN KRINGLE 1 IN COMPLEX WITH INHIBITOR HOMO SAPIENS HYDROLASE FIBRINOLYSIS PLASMINOGEN PROTEIN-PROTEIN INTERAKRINGLE LIGAND
Ref.: DISCOVERY OF THE FIBRINOLYSIS INHIBITOR AZD6564, AC INTERFERENCE OF A PROTEIN-PROTEIN INTERACTION. ACS MED.CHEM.LETT. V. 5 538 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
XO3 A:1081;
 Valid;
 none;
 submit data
258.316 C15 H18 N2 O2 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1CEB 2.07 Å EC: 3.4.21.7 THE STRUCTURE OF THE NON-COVALENT COMPLEX OF RECOMBINANT KRI DOMAIN OF HUMAN PLASMINOGEN WITH AMCHA (TRANS-4- A MINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID) HOMO SAPIENS SERINE PROTEASE
Ref.: CRYSTAL STRUCTURES OF THE RECOMBINANT KRINGLE 1 DOM HUMAN PLASMINOGEN IN COMPLEXES WITH THE LIGANDS EPSILON-AMINOCAPROIC ACID AND TRANS-4-(AMINOMETHYL)CYCLOHEXANE-1-CARBOXYLIC ACID. BIOCHEMISTRY V. 35 2567 1996
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1CEA Kd ~ 11 uM ACA C6 H13 N O2 C(CCC(=O)O....
2 1CEB Kd ~ 1 uM AMH C8 H15 N O2 C1CC(CCC1C....
3 4CIK - XO3 C15 H18 N2 O2 c1ccc(cc1)....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1CEA Kd ~ 11 uM ACA C6 H13 N O2 C(CCC(=O)O....
2 1CEB Kd ~ 1 uM AMH C8 H15 N O2 C1CC(CCC1C....
3 4CIK - XO3 C15 H18 N2 O2 c1ccc(cc1)....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3KIV Kd = 20 uM ACA C6 H13 N O2 C(CCC(=O)O....
2 2PK4 - ACA C6 H13 N O2 C(CCC(=O)O....
3 1CEA Kd ~ 11 uM ACA C6 H13 N O2 C(CCC(=O)O....
4 1CEB Kd ~ 1 uM AMH C8 H15 N O2 C1CC(CCC1C....
5 4CIK - XO3 C15 H18 N2 O2 c1ccc(cc1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: XO3; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 XO3 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: XO3; Similar ligands found: 31
No: Ligand Similarity coefficient
1 UUL 0.9308
2 658 0.9192
3 8IP 0.9151
4 RC0 0.9056
5 HHB 0.9047
6 5KN 0.9000
7 JW2 0.8990
8 K97 0.8977
9 FOY 0.8956
10 362 0.8885
11 4UB 0.8876
12 6HV 0.8871
13 49G 0.8857
14 U3S 0.8835
15 1H3 0.8826
16 7SB 0.8823
17 U2S 0.8806
18 ROL 0.8796
19 4VB 0.8778
20 STS 0.8775
21 1H2 0.8731
22 WM9 0.8730
23 SVM 0.8712
24 4V9 0.8708
25 49Z 0.8691
26 JVB 0.8647
27 OX3 0.8642
28 1PB 0.8642
29 CMZ 0.8631
30 A06 0.8604
31 020 0.8586
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1CEB; Ligand: AMH; 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: 1ceb.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1CEB; Ligand: AMH; 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: 1ceb.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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