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Receptor
PDB id Resolution Class Description Source Keywords
2PK4 2.25 Å EC: 3.-.-.- THE REFINED STRUCTURE OF THE EPSILON-AMINOCAPROIC ACID COMPL HUMAN PLASMINOGEN KRINGLE HOMO SAPIENS HYDROLASE(SERINE PROTEASE)
Ref.: THE REFINED STRUCTURE OF THE EPSILON-AMINOCAPROIC A COMPLEX OF HUMAN PLASMINOGEN KRINGLE 4. BIOCHEMISTRY V. 30 10589 1991
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACA A:100;
Valid;
none;
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131.173 C6 H13 N O2 C(CCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2PK4 2.25 Å EC: 3.-.-.- THE REFINED STRUCTURE OF THE EPSILON-AMINOCAPROIC ACID COMPL HUMAN PLASMINOGEN KRINGLE HOMO SAPIENS HYDROLASE(SERINE PROTEASE)
Ref.: THE REFINED STRUCTURE OF THE EPSILON-AMINOCAPROIC A COMPLEX OF HUMAN PLASMINOGEN KRINGLE 4. BIOCHEMISTRY V. 30 10589 1991
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 253 families.
1 2PK4 - ACA C6 H13 N O2 C(CCC(=O)O....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 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....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 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 Ki ~ 1 uM AMH C8 H15 N O2 C1CC(CCC1C....
5 4CIK - XO3 C15 H18 N2 O2 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ACA; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 ACA 1 1
2 011 0.875 0.96
3 8AC 0.84 0.96
4 ABU 0.625 0.916667
5 SHO 0.518519 0.653846
6 12H 0.5 0.666667
7 BAL 0.5 0.769231
8 KAP 0.457143 0.625
9 7C3 0.451613 0.821429
10 DAV 0.448276 0.92
11 DNN 0.432432 0.677419
12 NPI 0.4 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2PK4; Ligand: ACA; Similar sites found with APoc: 23
This union binding pocket(no: 1) in the query (biounit: 2pk4.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 2UX9 FMN None
2 2YJ0 FMN None
3 5KZD RCJ None
4 1W2D 4IP 2.5
5 1W2D ADP 2.5
6 2CHG ANP 2.5
7 2AK5 ARG PRO PRO LYS PRO ARG PRO ARG 4.6875
8 1UMD TDP COI 5
9 5KXQ GDP 6.25
10 5KY5 GDP 6.25
11 4LOC BTN 8.75
12 2I6U CP 8.75
13 5M42 FMN 8.75
14 2VSU ACO 11.25
15 2VSS ACO 11.25
16 3WQQ NDP 13.75
17 3WQQ IB3 13.75
18 1M5B BN1 13.75
19 1SZD APR 15
20 2OD9 A1R NCA 15
21 5KY4 GDP 15
22 3O8M BGC 18.75
23 3O8M GLC 18.75
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