Receptor
PDB id Resolution Class Description Source Keywords
1NOX 1.59 Å EC: 1.6.99.3 NADH OXIDASE FROM THERMUS THERMOPHILUS THERMUS THERMOPHILUS FLAVOENZYME FLAVOPROTEIN FMN OXIDOREDUCTASE THERMOPHILE
Ref.: CRYSTAL STRUCTURE OF NADH OXIDASE FROM THERMUS THER NAT.STRUCT.BIOL. V. 2 1109 1995
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:300;
Valid;
none;
Kd = 90 nM
456.344 C17 H21 N4 O9 P Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1NOX 1.59 Å EC: 1.6.99.3 NADH OXIDASE FROM THERMUS THERMOPHILUS THERMUS THERMOPHILUS FLAVOENZYME FLAVOPROTEIN FMN OXIDOREDUCTASE THERMOPHILE
Ref.: CRYSTAL STRUCTURE OF NADH OXIDASE FROM THERMUS THER NAT.STRUCT.BIOL. V. 2 1109 1995
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1NOX Kd = 90 nM 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 2 families.
1 1NOX Kd = 90 nM 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 2 families.
1 1NOX Kd = 90 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FMN; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 RS3 0.571429 0.831169
4 FAD 0.543307 0.876543
5 FAS 0.543307 0.876543
6 FAE 0.539062 0.865854
7 LFN 0.475 0.643836
8 C3F 0.473684 0.74359
9 CF4 0.463918 0.734177
10 FAY 0.446043 0.864198
11 FNR 0.444444 0.909091
12 RFL 0.442857 0.845238
13 4LS 0.411215 0.875
14 1VY 0.406593 0.769231
15 DLZ 0.404494 0.782051
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1NOX; Ligand: FMN; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 1nox.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZCH FMN 42.439
Pocket No.: 2; Query (leader) PDB : 1NOX; Ligand: FMN; 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: 1nox.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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