Receptor
PDB id Resolution Class Description Source Keywords
4IPH 1.94 Å NON-ENZYME: TRANSCRIPT_TRANSLATE STRUCTURE OF N-TERMINAL DOMAIN OF RPA70 IN COMPLEX WITH VU07 INHIBITOR HOMO SAPIENS OB-FOLD PROTEIN BINDING PROTEIN BINDING-INHIBITOR COMPLEX
Ref.: SURFACE REENGINEERING OF RPA70N ENABLES COCRYSTALLI WITH AN INHIBITOR OF THE REPLICATION PROTEIN A INTE MOTIF OF ATR INTERACTING PROTEIN. BIOCHEMISTRY V. 52 6515 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1FJ A:201;
A:202;
Valid;
Valid;
none;
none;
Kd = 5.01 uM
387.499 C17 H13 N3 O2 S3 Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4IPH 1.94 Å NON-ENZYME: TRANSCRIPT_TRANSLATE STRUCTURE OF N-TERMINAL DOMAIN OF RPA70 IN COMPLEX WITH VU07 INHIBITOR HOMO SAPIENS OB-FOLD PROTEIN BINDING PROTEIN BINDING-INHIBITOR COMPLEX
Ref.: SURFACE REENGINEERING OF RPA70N ENABLES COCRYSTALLI WITH AN INHIBITOR OF THE REPLICATION PROTEIN A INTE MOTIF OF ATR INTERACTING PROTEIN. BIOCHEMISTRY V. 52 6515 2013
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 309 families.
1 4LUZ Kd = 20 uM 1XT C29 H22 N2 O6 Cc1cccc(c1....
2 4LW1 Kd = 1400 uM 1XS C11 H6 Cl F O3 c1cc(c(cc1....
3 4LWC - 1XU C28 H18 Cl3 N3 O3 S c1cc(ccc1C....
4 4LUV Kd = 1400 uM 1XS C11 H6 Cl F O3 c1cc(c(cc1....
5 4LUO Kd > 2000 uM 1DZ C17 H14 N2 O2 Cc1cccc(c1....
6 4IPH Kd = 5.01 uM 1FJ C17 H13 N3 O2 S3 Cc1cccc(c1....
7 4IJH Kd = 47 uM 1EJ C17 H9 Cl F N3 O2 S2 c1cc(ccc1c....
8 5E7N Kd = 30 uM 5KR C21 H17 Br N2 O5 S Cc1ccc(cc1....
9 4IJL Kd = 135 uM 1EK C18 H12 Cl N3 O2 S2 c1ccc(cc1)....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 4LUZ Kd = 20 uM 1XT C29 H22 N2 O6 Cc1cccc(c1....
2 4LW1 Kd = 1400 uM 1XS C11 H6 Cl F O3 c1cc(c(cc1....
3 4LWC - 1XU C28 H18 Cl3 N3 O3 S c1cc(ccc1C....
4 4LUV Kd = 1400 uM 1XS C11 H6 Cl F O3 c1cc(c(cc1....
5 4LUO Kd > 2000 uM 1DZ C17 H14 N2 O2 Cc1cccc(c1....
6 4IPH Kd = 5.01 uM 1FJ C17 H13 N3 O2 S3 Cc1cccc(c1....
7 4IJH Kd = 47 uM 1EJ C17 H9 Cl F N3 O2 S2 c1cc(ccc1c....
8 5E7N Kd = 30 uM 5KR C21 H17 Br N2 O5 S Cc1ccc(cc1....
9 4IJL Kd = 135 uM 1EK C18 H12 Cl N3 O2 S2 c1ccc(cc1)....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 221 families.
1 4LUZ Kd = 20 uM 1XT C29 H22 N2 O6 Cc1cccc(c1....
2 4LW1 Kd = 1400 uM 1XS C11 H6 Cl F O3 c1cc(c(cc1....
3 4LWC - 1XU C28 H18 Cl3 N3 O3 S c1cc(ccc1C....
4 4LUV Kd = 1400 uM 1XS C11 H6 Cl F O3 c1cc(c(cc1....
5 4LUO Kd > 2000 uM 1DZ C17 H14 N2 O2 Cc1cccc(c1....
6 4IPH Kd = 5.01 uM 1FJ C17 H13 N3 O2 S3 Cc1cccc(c1....
7 4IJH Kd = 47 uM 1EJ C17 H9 Cl F N3 O2 S2 c1cc(ccc1c....
8 5E7N Kd = 30 uM 5KR C21 H17 Br N2 O5 S Cc1ccc(cc1....
9 4IJL Kd = 135 uM 1EK C18 H12 Cl N3 O2 S2 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 1FJ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 1FJ 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4IPH; Ligand: 1FJ; 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: 4iph.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4IPH; Ligand: 1FJ; 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: 4iph.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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