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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 4KGX | - | PAL | C6 H10 N O8 P | C([C@@H](C.... |
2 | 1R0C | - | NCD | C5 H8 N2 O5 | C([C@@H](C.... |
3 | 4F04 | - | UTP | C9 H15 N2 O15 P3 | C1=CN(C(=O.... |
4 | 1RAG | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
5 | 2FZC | Ki = 1900 uM | EOP | C6 H14 N2 O8 P2 | C(CNC(=O)C.... |
6 | 1RAB | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
7 | 1RAF | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
8 | 2AIR | - | CP | C H4 N O5 P | C(=O)(N)OP.... |
9 | 4KH1 | - | UTP | C9 H15 N2 O15 P3 | C1=CN(C(=O.... |
10 | 2FZK | Ki = 310 uM | EOZ | C11 H14 N2 O10 P2 | c1c(cc(cc1.... |
11 | 1Q95 | Ki = 27 nM | PAL | C6 H10 N O8 P | C([C@@H](C.... |
12 | 1RAE | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
13 | 1RAA | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
14 | 1ZA1 | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
15 | 4FYY | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
16 | 8ATC | - | PAL | C6 H10 N O8 P | C([C@@H](C.... |
17 | 4KGZ | - | UTP | C9 H15 N2 O15 P3 | C1=CN(C(=O.... |
18 | 4FYV | - | DCP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
19 | 4FYX | - | UTP | C9 H15 N2 O15 P3 | C1=CN(C(=O.... |
20 | 1RAC | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
21 | 1F1B | - | PAL | C6 H10 N O8 P | C([C@@H](C.... |
22 | 2FZG | Ki = 420 uM | EOB | C10 H14 N2 O8 P2 | c1cc(cc(c1.... |
23 | 1TUG | - | MLI | C3 H2 O4 | C(C(=O)[O-.... |
24 | 1D09 | Ki = 27 nM | PAL | C6 H10 N O8 P | C([C@@H](C.... |
25 | 4FYW | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
26 | 1RAI | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
27 | 4KGV | - | PAL | C6 H10 N O8 P | C([C@@H](C.... |
28 | 2H3E | Kd = 2 uM | 6PR | C6 H11 N2 O7 P | C([C@@H](C.... |
29 | 4KH0 | - | PAL | C6 H10 N O8 P | C([C@@H](C.... |
30 | 1RAD | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
31 | 1ZA2 | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
32 | 1RAH | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 4KGX | - | PAL | C6 H10 N O8 P | C([C@@H](C.... |
2 | 1R0C | - | NCD | C5 H8 N2 O5 | C([C@@H](C.... |
3 | 4F04 | - | UTP | C9 H15 N2 O15 P3 | C1=CN(C(=O.... |
4 | 1RAG | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
5 | 2FZC | Ki = 1900 uM | EOP | C6 H14 N2 O8 P2 | C(CNC(=O)C.... |
6 | 1RAB | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
7 | 1RAF | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
8 | 2AIR | - | CP | C H4 N O5 P | C(=O)(N)OP.... |
9 | 4KH1 | - | UTP | C9 H15 N2 O15 P3 | C1=CN(C(=O.... |
10 | 2FZK | Ki = 310 uM | EOZ | C11 H14 N2 O10 P2 | c1c(cc(cc1.... |
11 | 1Q95 | Ki = 27 nM | PAL | C6 H10 N O8 P | C([C@@H](C.... |
12 | 1RAE | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
13 | 1RAA | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
14 | 1ZA1 | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
15 | 4FYY | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
16 | 8ATC | - | PAL | C6 H10 N O8 P | C([C@@H](C.... |
17 | 4KGZ | - | UTP | C9 H15 N2 O15 P3 | C1=CN(C(=O.... |
18 | 4FYV | - | DCP | C9 H16 N3 O13 P3 | C1[C@@H]([.... |
19 | 4FYX | - | UTP | C9 H15 N2 O15 P3 | C1=CN(C(=O.... |
20 | 1RAC | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
21 | 1F1B | - | PAL | C6 H10 N O8 P | C([C@@H](C.... |
22 | 2FZG | Ki = 420 uM | EOB | C10 H14 N2 O8 P2 | c1cc(cc(c1.... |
23 | 1TUG | - | MLI | C3 H2 O4 | C(C(=O)[O-.... |
24 | 1D09 | Ki = 27 nM | PAL | C6 H10 N O8 P | C([C@@H](C.... |
25 | 4FYW | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
26 | 1RAI | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
27 | 4KGV | - | PAL | C6 H10 N O8 P | C([C@@H](C.... |
28 | 2H3E | Kd = 2 uM | 6PR | C6 H11 N2 O7 P | C([C@@H](C.... |
29 | 4KH0 | - | PAL | C6 H10 N O8 P | C([C@@H](C.... |
30 | 1RAD | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
31 | 1ZA2 | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
32 | 1RAH | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
33 | 6FBA | Kd = 19.9 uM | D48 | C10 H8 O2 | c1ccc2cc(c.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PRO LEU | 0.9084 |
2 | F6P | 0.9027 |
3 | CIL | 0.9017 |
4 | ALA LEU | 0.8962 |
5 | PMV | 0.8938 |
6 | X2W | 0.8817 |
7 | RDM | 0.8805 |
8 | C4L | 0.8804 |
9 | ILE VAL | 0.8800 |
10 | TA6 | 0.8793 |
11 | AAG | 0.8784 |
12 | TCO | 0.8783 |
13 | VAL VAL | 0.8775 |
14 | GLY LEU | 0.8741 |
15 | JPQ | 0.8707 |
16 | ALA GLN | 0.8684 |
17 | 5WM | 0.8669 |
18 | M8O | 0.8664 |
19 | RP5 | 0.8631 |
20 | AHL | 0.8621 |
21 | 23N | 0.8602 |
22 | RK4 | 0.8590 |
23 | NFK | 0.8589 |
24 | 5RP | 0.8588 |
25 | Q5M | 0.8560 |
26 | SER THR | 0.8560 |
27 | ZIP | 0.8534 |
This union binding pocket(no: 1) in the query (biounit: 1d09.bio1) has 59 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2I6U | CP | 47.8827 |
2 | 4BJH | PAL | 48.0645 |
This union binding pocket(no: 2) in the query (biounit: 1d09.bio1) has 59 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1d09.bio1) has 59 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1d09.bio1) has 71 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2I6U | CP | 47.8827 |
2 | 4BJH | PAL | 48.0645 |
This union binding pocket(no: 5) in the query (biounit: 1d09.bio1) has 71 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 1d09.bio1) has 71 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |