Receptor
PDB id Resolution Class Description Source Keywords
5CQG 2.3 Å EC: 7.-.-.- STRUCTURE OF TRIBOLIUM TELOMERASE IN COMPLEX WITH THE HIGHLY INHIBITOR BIBR1532 TRIBOLIUM CASTANEUM TELOMERASE REVERSE TRANSCRIPTASE FOLD TERT BIBR15312 TELOMEINHIBITOR TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: STRUCTURAL BASIS OF TELOMERASE INHIBITION BY THE HI SPECIFIC BIBR1532. STRUCTURE V. 23 1934 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
55C A:601;
B:601;
Valid;
Valid;
none;
none;
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331.365 C21 H17 N O3 C/C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5CQG 2.3 Å EC: 7.-.-.- STRUCTURE OF TRIBOLIUM TELOMERASE IN COMPLEX WITH THE HIGHLY INHIBITOR BIBR1532 TRIBOLIUM CASTANEUM TELOMERASE REVERSE TRANSCRIPTASE FOLD TERT BIBR15312 TELOMEINHIBITOR TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: STRUCTURAL BASIS OF TELOMERASE INHIBITION BY THE HI SPECIFIC BIBR1532. STRUCTURE V. 23 1934 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 5CQG - 55C C21 H17 N O3 C/C(=CC(=O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 271 families.
1 5CQG - 55C C21 H17 N O3 C/C(=CC(=O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 5CQG - 55C C21 H17 N O3 C/C(=CC(=O....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 55C; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 55C 1 1
2 ZZ8 0.428571 0.8
Similar Ligands (3D)
Ligand no: 1; Ligand: 55C; Similar ligands found: 13
No: Ligand Similarity coefficient
1 PT1 0.8910
2 D27 0.8888
3 P4O 0.8866
4 78H 0.8796
5 0UA 0.8783
6 A92 0.8707
7 V67 0.8660
8 KT4 0.8642
9 JV8 0.8638
10 S79 0.8631
11 9FK 0.8607
12 BAK 0.8564
13 VXS 0.8548
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5CQG; Ligand: 55C; 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: 5cqg.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5CQG; Ligand: 55C; 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: 5cqg.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5CQG; Ligand: 55C; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5cqg.bio3) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5CQG; Ligand: 55C; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5cqg.bio3) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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