Receptor
PDB id Resolution Class Description Source Keywords
5DQ8 2.31 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF HUMAN TRANSCRIPTION FACTOR TEAD2 IN COM FLUFENAMIC ACID HOMO SAPIENS FLUFENAMATES CANCER THERAPY HIPPO PATHWAY TRANSCRIPTION
Ref.: TARGETING THE CENTRAL POCKET IN HUMAN TRANSCRIPTION TEAD AS A POTENTIAL CANCER THERAPEUTIC STRATEGY. STRUCTURE V. 23 2076 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FLF A:501;
B:501;
B:502;
Valid;
Valid;
Valid;
none;
none;
none;
Kd = 73 uM
281.23 C14 H10 F3 N O2 c1ccc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5DQ8 2.31 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF HUMAN TRANSCRIPTION FACTOR TEAD2 IN COM FLUFENAMIC ACID HOMO SAPIENS FLUFENAMATES CANCER THERAPY HIPPO PATHWAY TRANSCRIPTION
Ref.: TARGETING THE CENTRAL POCKET IN HUMAN TRANSCRIPTION TEAD AS A POTENTIAL CANCER THERAPEUTIC STRATEGY. STRUCTURE V. 23 2076 2015
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 309 families.
1 5DQ8 Kd = 73 uM FLF C14 H10 F3 N O2 c1ccc(c(c1....
2 5HGU - PLM C16 H32 O2 CCCCCCCCCC....
3 5DQE - 5E4 C13 H10 Br N O2 c1ccc(c(c1....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 5XJD Kd ~ 300 uM 87L C12 H11 N O2 c1ccc(cc1)....
2 5DQ8 Kd = 73 uM FLF C14 H10 F3 N O2 c1ccc(c(c1....
3 5HGU - PLM C16 H32 O2 CCCCCCCCCC....
4 5DQE - 5E4 C13 H10 Br N O2 c1ccc(c(c1....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 221 families.
1 5XJD Kd ~ 300 uM 87L C12 H11 N O2 c1ccc(cc1)....
2 5DQ8 Kd = 73 uM FLF C14 H10 F3 N O2 c1ccc(c(c1....
3 5HGU - PLM C16 H32 O2 CCCCCCCCCC....
4 5DQE - 5E4 C13 H10 Br N O2 c1ccc(c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FLF; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 FLF 1 1
2 5E4 0.578947 0.83871
3 NFL 0.507692 0.783784
4 17C 0.5 0.727273
5 OFL 0.491525 0.935484
6 CJZ 0.47541 0.722222
7 P2C 0.439394 0.634146
8 644 0.431034 0.685714
9 683 0.40625 0.705882
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5DQ8; Ligand: FLF; 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: 5dq8.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5DQ8; Ligand: FLF; 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: 5dq8.bio2) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5DQ8; Ligand: FLF; 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: 5dq8.bio2) has 30 residues
No: Leader PDB Ligand Sequence Similarity
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