Receptor
PDB id Resolution Class Description Source Keywords
3V78 2.3 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF TRANSCRIPTIONAL REGULATOR MYCOBACTERIUM TUBERCULOSIS HELIX-TURN-HELIX DNA BINDING DOMAIN TRANSCRIPTION
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSIS OF THE TRANSCRIP REGULATOR RV3066 OF MYCOBACTERIUM TUBERCULOSIS. NUCLEIC ACIDS RES. V. 40 9340 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ET A:301;
B:301;
 Valid;
Valid;
 none;
none;
 Kd = 2.9 uM
314.404 C21 H20 N3 CC[n+...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3V78 2.3 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF TRANSCRIPTIONAL REGULATOR MYCOBACTERIUM TUBERCULOSIS HELIX-TURN-HELIX DNA BINDING DOMAIN TRANSCRIPTION
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSIS OF THE TRANSCRIP REGULATOR RV3066 OF MYCOBACTERIUM TUBERCULOSIS. NUCLEIC ACIDS RES. V. 40 9340 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 3V78 Kd = 2.9 uM ET C21 H20 N3 CC[n+]1c2c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 3V78 Kd = 2.9 uM ET C21 H20 N3 CC[n+]1c2c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 3V78 Kd = 2.9 uM ET C21 H20 N3 CC[n+]1c2c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ET; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 ET 1 1
2 PRM 0.641791 0.705882
3 DCU 0.6 0.660377
Similar Ligands (3D)
Ligand no: 1; Ligand: ET; Similar ligands found: 19
No: Ligand Similarity coefficient
1 3RH 0.9102
2 65Z 0.9075
3 4PX 0.8963
4 1M1 0.8932
5 L32 0.8860
6 5SB 0.8857
7 2T6 0.8800
8 6JJ 0.8761
9 9GW 0.8713
10 Q9G 0.8703
11 YGL 0.8676
12 9GT 0.8676
13 7M5 0.8673
14 5M8 0.8670
15 LZL 0.8669
16 TC8 0.8660
17 5JW 0.8638
18 M2N 0.8623
19 DAN 0.8550
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3V78; Ligand: ET; 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: 3v78.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3V78; Ligand: ET; 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: 3v78.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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