Receptor
PDB id Resolution Class Description Source Keywords
1AL8 2.2 Å EC: 1.1.3.15 THREE-DIMENSIONAL STRUCTURE OF GLYCOLATE OXIDASE WITH BOUND SITE INHIBITORS SPINACIA OLERACEA FLAVOPROTEIN DRUG DESIGN INHIBITOR BINDING
Ref.: THREE-DIMENSIONAL STRUCTURES OF GLYCOLATE OXIDASE W ACTIVE-SITE INHIBITORS. PROTEIN SCI. V. 6 1009 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DHP A:361;
Valid;
none;
Ki = 4.8 uM
253.337 C14 H23 N O3 CCCCC...
FMN A:360;
Valid;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1AL8 2.2 Å EC: 1.1.3.15 THREE-DIMENSIONAL STRUCTURE OF GLYCOLATE OXIDASE WITH BOUND SITE INHIBITORS SPINACIA OLERACEA FLAVOPROTEIN DRUG DESIGN INHIBITOR BINDING
Ref.: THREE-DIMENSIONAL STRUCTURES OF GLYCOLATE OXIDASE W ACTIVE-SITE INHIBITORS. PROTEIN SCI. V. 6 1009 1997
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1AL8 Ki = 4.8 uM DHP C14 H23 N O3 CCCCCCCCCC....
2 1GOX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1AL8 Ki = 4.8 uM DHP C14 H23 N O3 CCCCCCCCCC....
2 1GOX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (51)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6A0V - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 5ZZX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 6A19 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 6A1A - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 6A1H - 9O9 C18 H22 N3 O9 P Cc1cc2c(cc....
6 5ZZZ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 5ZZS - BEZ C7 H6 O2 c1ccc(cc1)....
8 6A0M - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 6A21 - 9OR C20 H25 N4 O12 P Cc1cc2c(cc....
10 6A0G - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 6A1M - 9O9 C18 H22 N3 O9 P Cc1cc2c(cc....
12 6A0O - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 6A1R - 9OC C25 H29 N4 O10 P Cc1cc2c(cc....
14 6A13 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 5ZZP - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 6A0Y - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
17 6A23 - 173 C8 H6 O3 c1ccc(cc1)....
18 5ZZR - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 6A0D - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
20 6A1L - BEZ C7 H6 O2 c1ccc(cc1)....
21 6A08 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
22 5ZZY - 2OP C3 H6 O3 C[C@@H](C(....
23 5ZZQ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
24 6A1P - 9O9 C18 H22 N3 O9 P Cc1cc2c(cc....
25 6A11 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
26 6A00 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
27 1AL8 Ki = 4.8 uM DHP C14 H23 N O3 CCCCCCCCCC....
28 1GOX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
29 3SGZ - HO6 C10 H8 N2 O2 S2 Cc1ccc(cc1....
30 1TB3 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
31 1P5B - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
32 2A7N - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
33 1HUV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
34 2A85 - HOC C8 H16 O3 CCCCCC[C@@....
35 3GIY - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
36 1P4C - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
37 2A7P - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
38 1KBI - PYR C3 H4 O3 CC(=O)C(=O....
39 1FCB - PYR C3 H4 O3 CC(=O)C(=O....
40 6BFG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
41 2RDW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
42 2RDT Ki ~ 15 nM 2RD C15 H27 N3 O2 S CCCCCCCCCC....
43 2RDU - GLV C2 H2 O3 C(=O)C(=O)....
44 2J6X - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
45 4YL2 - PYR C3 H4 O3 CC(=O)C(=O....
46 2DU2 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
47 2E77 - PYR C3 H4 O3 CC(=O)C(=O....
48 2ZFA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
49 4RJE - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
50 2NLI - LAC C3 H6 O3 C[C@H](C(=....
51 1KBJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DHP; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 DHP 1 1
Ligand no: 2; Ligand: FMN; Similar ligands found: 17
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 5DD 0.475248 0.972603
9 LFN 0.475 0.643836
10 C3F 0.473684 0.74359
11 CF4 0.463918 0.734177
12 FAY 0.446043 0.864198
13 FNR 0.444444 0.909091
14 RFL 0.442857 0.845238
15 4LS 0.411215 0.875
16 1VY 0.406593 0.769231
17 DLZ 0.404494 0.782051
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1AL8; 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: 1) in the query (biounit: 1al8.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1AL8; 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: 1al8.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1AL8; 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: 3) in the query (biounit: 1al8.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1AL8; 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: 4) in the query (biounit: 1al8.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1AL8; Ligand: DHP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1al8.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1AL8; Ligand: DHP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1al8.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1AL8; Ligand: DHP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1al8.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1AL8; Ligand: DHP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1al8.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
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