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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 6 families. | |||||
1 | 2H90 | Kd = 5 uM | COU | C9 H6 O2 | c1ccc2c(c1.... |
2 | 5CPO | - | XEN | C10 H18 N2 O | CCCCN1CCCC.... |
3 | 3L5M | Kd = 8.4 uM | COU | C9 H6 O2 | c1ccc2c(c1.... |
4 | 3N14 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
5 | 3L67 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
6 | 3L68 | Kd = 69.2 uM | COU | C9 H6 O2 | c1ccc2c(c1.... |
7 | 5N6Q | - | 8OZ | C9 H8 O2 | C=C(c1cccc.... |
8 | 5CPN | - | 531 | C14 H19 N O | CC(=O)[C@H.... |
9 | 5CPM | Kd = 27 uM | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
10 | 3L65 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
11 | 2H8X | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
12 | 3L66 | Kd = 20.9 uM | COU | C9 H6 O2 | c1ccc2c(c1.... |
13 | 3L5L | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
14 | 3N19 | - | FNR | C17 H23 N4 O9 P | Cc1cc2c(cc.... |
15 | 2H8Z | Kd = 2.5 uM | 8CM | C9 H6 O3 | c1cc2c(c(c.... |
16 | 5CPL | Kd < 25 uM | 536 | C13 H16 N2 O | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 2H90 | Kd = 5 uM | COU | C9 H6 O2 | c1ccc2c(c1.... |
2 | 5CPO | - | XEN | C10 H18 N2 O | CCCCN1CCCC.... |
3 | 3L5M | Kd = 8.4 uM | COU | C9 H6 O2 | c1ccc2c(c1.... |
4 | 3N14 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
5 | 3L67 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
6 | 3L68 | Kd = 69.2 uM | COU | C9 H6 O2 | c1ccc2c(c1.... |
7 | 5N6Q | - | 8OZ | C9 H8 O2 | C=C(c1cccc.... |
8 | 5CPN | - | 531 | C14 H19 N O | CC(=O)[C@H.... |
9 | 5CPM | Kd = 27 uM | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
10 | 3L65 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
11 | 2H8X | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
12 | 3L66 | Kd = 20.9 uM | COU | C9 H6 O2 | c1ccc2c(c1.... |
13 | 3L5L | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
14 | 3N19 | - | FNR | C17 H23 N4 O9 P | Cc1cc2c(cc.... |
15 | 2H8Z | Kd = 2.5 uM | 8CM | C9 H6 O3 | c1cc2c(c(c.... |
16 | 5CPL | Kd < 25 uM | 536 | C13 H16 N2 O | c1ccc(cc1).... |
17 | 5OCS | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
18 | 3KRZ | - | TXD | C21 H31 N7 O14 P2 | c1nc(c2c(n.... |
19 | 3KRU | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
20 | 3HGJ | - | HBA | C7 H6 O2 | c1cc(ccc1C.... |
21 | 3HF3 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
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 |
This union binding pocket(no: 1) in the query (biounit: 2h8z.bio1) has 5 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2h8z.bio1) has 5 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2h8z.bio1) has 76 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6AGZ | FMN | 32.8691 |
2 | 6UFF | FMN | 41.5042 |
This union binding pocket(no: 4) in the query (biounit: 2h8z.bio1) has 76 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 2h8z.bio1) has 4 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 2h8z.bio1) has 76 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6AGZ | FMN | 32.8691 |
2 | 6UFF | FMN | 41.5042 |
This union binding pocket(no: 8) in the query (biounit: 2h8z.bio1) has 76 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |