Receptor
PDB id Resolution Class Description Source Keywords
6FTF 1.09 Å EC: 2.-.-.- REGULATORY SUBUNIT OF A CAMP-INDEPENDENT PROTEIN KINASE A FR TRYPANOSOMA CRUZI AT 1.09 A RESOLUTION TRYPANOSOMA CRUZI (STRAIN CL BRENER) PROTEIN KINASE A REGULATORY SUBUNIT CELL SIGNALLING SIGNAPROTEIN
Ref.: NUCLEOSIDE ANALOGUE ACTIVATORS OF CYCLIC AMP-INDEPE PROTEIN KINASE A OF TRYPANOSOMA. NAT COMMUN V. 10 1421 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO B:601;
B:603;
B:602;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
7CI B:604;
B:605;
Valid;
Valid;
none;
none;
Kd = 57 nM
292.247 C12 H12 N4 O5 c1c(c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6FTF 1.09 Å EC: 2.-.-.- REGULATORY SUBUNIT OF A CAMP-INDEPENDENT PROTEIN KINASE A FR TRYPANOSOMA CRUZI AT 1.09 A RESOLUTION TRYPANOSOMA CRUZI (STRAIN CL BRENER) PROTEIN KINASE A REGULATORY SUBUNIT CELL SIGNALLING SIGNAPROTEIN
Ref.: NUCLEOSIDE ANALOGUE ACTIVATORS OF CYCLIC AMP-INDEPE PROTEIN KINASE A OF TRYPANOSOMA. NAT COMMUN V. 10 1421 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 307 families.
1 6FTF Kd = 57 nM 7CI C12 H12 N4 O5 c1c(c2c(n1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 275 families.
1 6FTF Kd = 57 nM 7CI C12 H12 N4 O5 c1c(c2c(n1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 212 families.
1 6FTF Kd = 57 nM 7CI C12 H12 N4 O5 c1c(c2c(n1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 7CI; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 7CI 1 1
2 NOS 0.473684 0.96875
3 TO1 0.434211 0.923077
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6FTF; Ligand: 7CI; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 6ftf.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 2PTM CMP 25.7576
2 3OCP CMP 46.0432
3 3OCP CMP 46.0432
Pocket No.: 2; Query (leader) PDB : 6FTF; Ligand: 7CI; 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: 6ftf.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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