Receptor
PDB id Resolution Class Description Source Keywords
3F8C 2.2 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF MULTIDRUG BINDING TRANSCRIPTIONAL REGUL COMPLEXED WITH HOECHST 33342 LACTOCOCCUS LACTIS SUBSP. CREMORIS WINGED HELIX TURN HELIX TRANSCRIPTION REGULATOR
Ref.: STRUCTURE OF THE TRANSCRIPTIONAL REGULATOR LMRR AND MECHANISM OF MULTIDRUG RECOGNITION. EMBO J. V. 28 156 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HT1 A:127;
Valid;
none;
Kd = 21 nM
452.551 C27 H28 N6 O CCOc1...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3F8C 2.2 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF MULTIDRUG BINDING TRANSCRIPTIONAL REGUL COMPLEXED WITH HOECHST 33342 LACTOCOCCUS LACTIS SUBSP. CREMORIS WINGED HELIX TURN HELIX TRANSCRIPTION REGULATOR
Ref.: STRUCTURE OF THE TRANSCRIPTIONAL REGULATOR LMRR AND MECHANISM OF MULTIDRUG RECOGNITION. EMBO J. V. 28 156 2009
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 3F8C Kd = 21 nM HT1 C27 H28 N6 O CCOc1ccc(c....
2 4ZZD Kd = 0.26 uM RBF C17 H20 N4 O6 Cc1cc2c(cc....
3 3F8F Kd = 236 nM DM1 C27 H29 N O10 C[C@H]1[C@....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 3F8C Kd = 21 nM HT1 C27 H28 N6 O CCOc1ccc(c....
2 4ZZD Kd = 0.26 uM RBF C17 H20 N4 O6 Cc1cc2c(cc....
3 3F8F Kd = 236 nM DM1 C27 H29 N O10 C[C@H]1[C@....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 3F8C Kd = 21 nM HT1 C27 H28 N6 O CCOc1ccc(c....
2 4ZZD Kd = 0.26 uM RBF C17 H20 N4 O6 Cc1cc2c(cc....
3 3F8F Kd = 236 nM DM1 C27 H29 N O10 C[C@H]1[C@....
4 5H20 - GLC C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HT1; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 HT1 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3F8C; Ligand: HT1; 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: 3f8c.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3F8C; Ligand: HT1; 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: 3f8c.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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