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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4S27 | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
2 | 4S25 | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
3 | 4S28 | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
4 | 4S26 | - | IRN | C8 H13 N2 O7 P | c1cn(cn1)[.... |
5 | 4S29 | - | IRN | C8 H13 N2 O7 P | c1cn(cn1)[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4S27 | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
2 | 4S25 | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
3 | 4S28 | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
4 | 4S26 | - | IRN | C8 H13 N2 O7 P | c1cn(cn1)[.... |
5 | 4S29 | - | IRN | C8 H13 N2 O7 P | c1cn(cn1)[.... |
6 | 3EPO | - | MP5 | C6 H10 N3 O4 P | Cc1ncc(c(n.... |
7 | 3EPN | - | IRN | C8 H13 N2 O7 P | c1cn(cn1)[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | IRN | 1 | 1 |
2 | AIR | 0.507692 | 0.907692 |
3 | RVP | 0.485294 | 0.850746 |
4 | AHG | 0.45098 | 0.622951 |
5 | AMZ | 0.450704 | 0.867647 |
6 | C2R | 0.450704 | 0.855072 |
7 | 5GP | 0.443038 | 0.808219 |
8 | G | 0.443038 | 0.808219 |
9 | 7RP | 0.44 | 0.907692 |
10 | NIA | 0.438356 | 0.797297 |
11 | IMP | 0.435897 | 0.830986 |
12 | AAM | 0.434211 | 0.867647 |
13 | 7RA | 0.434211 | 0.855072 |
14 | AMP | 0.432432 | 0.867647 |
15 | 1RB | 0.432432 | 0.951613 |
16 | A | 0.432432 | 0.867647 |
17 | 93A | 0.43038 | 0.7375 |
18 | RBZ | 0.426667 | 0.907692 |
19 | HSX | 0.425926 | 0.606557 |
20 | ABF | 0.425926 | 0.606557 |
21 | RP5 | 0.425926 | 0.606557 |
22 | RMB | 0.415584 | 0.936508 |
23 | JLN | 0.415584 | 0.867647 |
24 | LJN | 0.415584 | 0.816901 |
25 | FAI | 0.415584 | 0.867647 |
26 | IMO | 0.415584 | 0.880597 |
27 | P2P | 0.415584 | 0.880597 |
28 | G7M | 0.4125 | 0.776316 |
29 | GRF | 0.410714 | 0.741935 |
30 | 6MZ | 0.410256 | 0.855072 |
31 | PMO | 0.405063 | 0.907692 |
32 | 71V | 0.405063 | 0.786667 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GAR | 0.9480 |
2 | C | 0.9202 |
3 | C5P | 0.9199 |
4 | U5P | 0.9185 |
5 | UP6 | 0.9151 |
6 | CH | 0.9141 |
7 | FN5 | 0.9140 |
8 | PSU | 0.9076 |
9 | FDQ | 0.9072 |
10 | RI2 | 0.9069 |
11 | H2U | 0.9053 |
12 | DU | 0.8979 |
13 | U | 0.8972 |
14 | UMP | 0.8969 |
15 | DDN | 0.8956 |
16 | CAR | 0.8943 |
17 | DCM | 0.8918 |
18 | DC | 0.8876 |
19 | 9L3 | 0.8875 |
20 | 5BU | 0.8874 |
21 | DOC | 0.8873 |
22 | N88 | 0.8870 |
23 | 5FU | 0.8850 |
24 | 6PG | 0.8843 |
25 | UMC | 0.8843 |
26 | NUP | 0.8836 |
27 | DUS | 0.8822 |
28 | U6M | 0.8820 |
29 | TMP | 0.8803 |
30 | BMP | 0.8773 |
31 | ALA PHE | 0.8770 |
32 | AFP | 0.8770 |
33 | MZP | 0.8753 |
34 | FGR | 0.8749 |
35 | FDP | 0.8744 |
36 | BN1 | 0.8727 |
37 | FBP | 0.8692 |
38 | CH5 | 0.8688 |
39 | 2T4 | 0.8688 |
40 | NLD | 0.8685 |
41 | 5IU | 0.8646 |
42 | UFP | 0.8621 |
43 | D8X | 0.8620 |
44 | NMN | 0.8613 |
45 | TCO | 0.8600 |
46 | IN2 | 0.8586 |
47 | HWH | 0.8510 |
This union binding pocket(no: 1) in the query (biounit: 4s28.bio1) has 50 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4s28.bio1) has 50 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4s28.bio1) has 50 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4s28.bio1) has 50 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |