Receptor
PDB id Resolution Class Description Source Keywords
5IGL 2.1 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE SECOND BROMODOMAIN OF HUMAN TAF1L I WITH BROMOSPORINE (BSP) HOMO SAPIENS TRANSCRIPTION TAF1/TAFII250 STRUCTURAL GENOMICS STRUCTURAGENOMICS CONSORTIUM SGC
Ref.: PROMISCUOUS TARGETING OF BROMODOMAINS BY BROMOSPORI IDENTIFIES BET PROTEINS AS MASTER REGULATORS OF PRI TRANSCRIPTION RESPONSE IN LEUKEMIA. SCI ADV V. 2 00760 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BMF A:1701;
 Valid;
 none;
 Kd = 42.7 nM
404.444 C17 H20 N6 O4 S CCOC(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5IGL 2.1 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE SECOND BROMODOMAIN OF HUMAN TAF1L I WITH BROMOSPORINE (BSP) HOMO SAPIENS TRANSCRIPTION TAF1/TAFII250 STRUCTURAL GENOMICS STRUCTURAGENOMICS CONSORTIUM SGC
Ref.: PROMISCUOUS TARGETING OF BROMODOMAINS BY BROMOSPORI IDENTIFIES BET PROTEINS AS MASTER REGULATORS OF PRI TRANSCRIPTION RESPONSE IN LEUKEMIA. SCI ADV V. 2 00760 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 5IGL Kd = 42.7 nM BMF C17 H20 N6 O4 S CCOC(=O)Nc....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 6DF7 ic50 = 0.01 uM G9V C24 H25 N5 O3 Cn1cnc2c1c....
2 6DF4 ic50 = 0.023 uM G9Y C22 H23 N3 O3 C=CCCN1C=C....
3 5IGL Kd = 42.7 nM BMF C17 H20 N6 O4 S CCOC(=O)Nc....
4 6BQD ic50 = 0.41 uM 69G C20 H21 N3 O2 C/C=C/CN1C....
5 5MG2 Kd = 17 nM 7M8 C25 H23 N3 O4 Cc1cc2c(cc....
6 5I29 Kd = 15 nM 67B C17 H17 N3 O2 CN1C=C(c2c....
7 5I1Q Kd = 12 nM 67C C20 H21 N3 O2 CN(C)C(=O)....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 6DF7 ic50 = 0.01 uM G9V C24 H25 N5 O3 Cn1cnc2c1c....
2 6DF4 ic50 = 0.023 uM G9Y C22 H23 N3 O3 C=CCCN1C=C....
3 5IGL Kd = 42.7 nM BMF C17 H20 N6 O4 S CCOC(=O)Nc....
4 6BQD ic50 = 0.41 uM 69G C20 H21 N3 O2 C/C=C/CN1C....
5 5MG2 Kd = 17 nM 7M8 C25 H23 N3 O4 Cc1cc2c(cc....
6 5I29 Kd = 15 nM 67B C17 H17 N3 O2 CN1C=C(c2c....
7 5I1Q Kd = 12 nM 67C C20 H21 N3 O2 CN(C)C(=O)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BMF; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 BMF 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: BMF; Similar ligands found: 1
No: Ligand Similarity coefficient
1 083 0.8670
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5IGL; Ligand: BMF; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 5igl.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 4XUB 43D 40.1709
2 6HDN FZB 46.9231
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