Receptor
PDB id Resolution Class Description Source Keywords
4OXX 1.21 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CINDOXIN, SURFACE ENTROPY REDUCTION MUT CITROBACTER BRAAKII FLAVOPROTEIN FMN CINDOXIN ELECTRON TRANSPORT
Ref.: CRYSTAL STRUCTURE OF CINDOXIN, THE P450CIN REDOX PA BIOCHEMISTRY V. 53 1435 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:200;
 Valid;
 none;
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456.344 C17 H21 N4 O9 P Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4OXX 1.21 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CINDOXIN, SURFACE ENTROPY REDUCTION MUT CITROBACTER BRAAKII FLAVOPROTEIN FMN CINDOXIN ELECTRON TRANSPORT
Ref.: CRYSTAL STRUCTURE OF CINDOXIN, THE P450CIN REDOX PA BIOCHEMISTRY V. 53 1435 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4OXX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4OXX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4OXX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FMN; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 9O9 0.574468 0.934211
4 RS3 0.571429 0.831169
5 FAD 0.543307 0.876543
6 FAS 0.543307 0.876543
7 FAE 0.539062 0.865854
8 UBG 0.534351 0.888889
9 5DD 0.475248 0.972603
10 LFN 0.475 0.643836
11 C3F 0.473684 0.74359
12 CF4 0.463918 0.734177
13 FAY 0.446043 0.864198
14 FNR 0.444444 0.909091
15 RFL 0.442857 0.845238
16 4LS 0.411215 0.875
17 1VY 0.406593 0.769231
18 DLZ 0.404494 0.782051
Similar Ligands (3D)
Ligand no: 1; Ligand: FMN; Similar ligands found: 10
No: Ligand Similarity coefficient
1 7O6 0.9670
2 4X4 0.8996
3 4LU 0.8884
4 E2U 0.8865
5 HDF 0.8834
6 AFQ 0.8817
7 E2X 0.8805
8 E89 0.8698
9 1WJ 0.8673
10 FZZ 0.8606
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4OXX; Ligand: FMN; Similar sites found with APoc: 19
This union binding pocket(no: 1) in the query (biounit: 4oxx.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5K9B FMN 25.3086
2 1CZR FMN 29.6296
3 5GXU FMN 32.716
4 1AG9 FMN 32.716
5 1AG9 FMN 32.716
6 2FCR FMN 33.3333
7 4H2D FMN 35.8025
8 4H2D FMN 35.8025
9 1BVY FMN 43.2099
10 3FJO FMN 43.8272
11 6T1T NDP 44.4444
12 6T1T FAD 44.4444
13 6T1T FMN 44.4444
14 6EFV FMN 44.4444
15 1B1C FMN 45.679
16 5FA6 FMN 45.679
17 5FA6 FAD 45.679
18 5FA6 NAP 45.679
19 4HEQ FMN 49.3151
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