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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 | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DCP | 1 | 1 |
2 | YYY | 0.884058 | 1 |
3 | DC | 0.760563 | 0.985714 |
4 | DCM | 0.760563 | 0.985714 |
5 | 0KX | 0.708861 | 0.972222 |
6 | DCP MG | 0.646341 | 0.943662 |
7 | DCT | 0.621951 | 0.971831 |
8 | CTP | 0.609756 | 0.90411 |
9 | DUT | 0.609756 | 0.929577 |
10 | HF4 | 0.609756 | 0.90411 |
11 | DCZ | 0.605634 | 0.847222 |
12 | LDC | 0.605634 | 0.847222 |
13 | GTF | 0.581395 | 0.891892 |
14 | TTP | 0.55814 | 0.891892 |
15 | 6U4 | 0.554348 | 0.921053 |
16 | CDP | 0.535714 | 0.90411 |
17 | DUD | 0.52381 | 0.929577 |
18 | F6G | 0.516854 | 0.905405 |
19 | GCQ | 0.511364 | 0.891892 |
20 | 8DG | 0.505263 | 0.875 |
21 | TYD | 0.477273 | 0.891892 |
22 | 5CM | 0.471264 | 0.945205 |
23 | CPA | 0.468468 | 0.85 |
24 | DOC | 0.464286 | 0.957747 |
25 | 7XL | 0.462366 | 0.88 |
26 | 0RC | 0.462366 | 0.881579 |
27 | CXY | 0.46 | 0.88 |
28 | CGP | 0.452174 | 0.841463 |
29 | C2G | 0.447917 | 0.891892 |
30 | C5P | 0.447059 | 0.890411 |
31 | C | 0.447059 | 0.890411 |
32 | CAR | 0.447059 | 0.890411 |
33 | 2TM | 0.44086 | 0.918919 |
34 | CDM | 0.44 | 0.858974 |
35 | C5G | 0.435644 | 0.855263 |
36 | 8GD | 0.43299 | 0.875 |
37 | DTP | 0.43299 | 0.831169 |
38 | UMP | 0.430233 | 0.915493 |
39 | DU | 0.430233 | 0.915493 |
40 | DGT | 0.43 | 0.848101 |
41 | CDC | 0.43 | 0.77381 |
42 | TLO | 0.415842 | 0.844156 |
43 | DUP | 0.414894 | 0.90411 |
44 | UTP | 0.413043 | 0.849315 |
45 | 523 | 0.412371 | 0.921053 |
46 | 0FX | 0.411215 | 0.835443 |
47 | 8DD | 0.41 | 0.835443 |
48 | U5F | 0.408602 | 0.849315 |
49 | HF7 | 0.405941 | 0.820513 |
50 | T3F | 0.40566 | 0.835443 |
51 | T3Q | 0.40566 | 0.835443 |
52 | C3P | 0.402299 | 0.876712 |
53 | DDN | 0.402299 | 0.915493 |
54 | C2P | 0.402299 | 0.916667 |
55 | CDP MG | 0.402174 | 0.851351 |
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 |