Receptor
PDB id Resolution Class Description Source Keywords
4ZOW 2.45 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF E. COLI MULTIDRUG TRANSPORTER MDFA IN C WITH CHLORAMPHENICOL ESCHERICHIA COLI (STRAIN K12) MFS FAMILY MULTI-DRUG ANTIPORTER MDFA CM TRANSPORT PROTE
Ref.: SUBSTRATE-BOUND STRUCTURE OF THE E. COLI MULTIDRUG RESISTANCE TRANSPORTER MDFA CELL RES. V. 25 1060 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CLM A:500;
 Valid;
 none;
 Kd = 75 uM
323.129 C11 H12 Cl2 N2 O5 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ZOW 2.45 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF E. COLI MULTIDRUG TRANSPORTER MDFA IN C WITH CHLORAMPHENICOL ESCHERICHIA COLI (STRAIN K12) MFS FAMILY MULTI-DRUG ANTIPORTER MDFA CM TRANSPORT PROTE
Ref.: SUBSTRATE-BOUND STRUCTURE OF THE E. COLI MULTIDRUG RESISTANCE TRANSPORTER MDFA CELL RES. V. 25 1060 2015
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 4ZOW Kd = 75 uM CLM C11 H12 Cl2 N2 O5 c1cc(ccc1[....
2 6EUQ - DXC C24 H40 O4 C[C@H](CCC....
3 4ZP0 - DXC C24 H40 O4 C[C@H](CCC....
4 6VS0 - CLM C11 H12 Cl2 N2 O5 c1cc(ccc1[....
5 6VRZ - CLM C11 H12 Cl2 N2 O5 c1cc(ccc1[....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 4ZOW Kd = 75 uM CLM C11 H12 Cl2 N2 O5 c1cc(ccc1[....
2 6EUQ - DXC C24 H40 O4 C[C@H](CCC....
3 4ZP0 - DXC C24 H40 O4 C[C@H](CCC....
4 6VS0 - CLM C11 H12 Cl2 N2 O5 c1cc(ccc1[....
5 6VRZ - CLM C11 H12 Cl2 N2 O5 c1cc(ccc1[....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 4ZOW Kd = 75 uM CLM C11 H12 Cl2 N2 O5 c1cc(ccc1[....
2 6EUQ - DXC C24 H40 O4 C[C@H](CCC....
3 4ZP0 - DXC C24 H40 O4 C[C@H](CCC....
4 6VS0 - CLM C11 H12 Cl2 N2 O5 c1cc(ccc1[....
5 6VRZ - CLM C11 H12 Cl2 N2 O5 c1cc(ccc1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CLM; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 CLM 1 1
2 BRX 0.769231 0.962264
3 CL8 0.58209 0.862069
Similar Ligands (3D)
Ligand no: 1; Ligand: CLM; Similar ligands found: 15
No: Ligand Similarity coefficient
1 TH8 0.9585
2 NHK 0.8955
3 HRS 0.8926
4 GLY TYR 0.8823
5 C2R 0.8784
6 L8N 0.8728
7 NGH 0.8722
8 AMZ 0.8718
9 DA 0.8655
10 0QX 0.8631
11 A06 0.8627
12 Z79 0.8620
13 IMP 0.8600
14 UMP 0.8535
15 N1Y 0.8526
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ZOW; Ligand: CLM; 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: 4zow.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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