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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 | UTP | 1 | 1 |
2 | U5F | 0.984375 | 1 |
3 | UDP | 0.892308 | 1 |
4 | UNP | 0.767123 | 0.970149 |
5 | U5P | 0.746269 | 0.984615 |
6 | U | 0.746269 | 0.984615 |
7 | UFM | 0.7125 | 0.941176 |
8 | UPG | 0.7125 | 0.941176 |
9 | GDU | 0.7125 | 0.941176 |
10 | UPU | 0.701299 | 0.940298 |
11 | UDH | 0.7 | 0.864865 |
12 | UPP | 0.7 | 0.941176 |
13 | 2KH | 0.693333 | 0.970149 |
14 | URM | 0.691358 | 0.927536 |
15 | 660 | 0.691358 | 0.927536 |
16 | 44P | 0.690141 | 0.955882 |
17 | UFG | 0.686747 | 0.888889 |
18 | U2F | 0.686747 | 0.888889 |
19 | UPF | 0.686747 | 0.888889 |
20 | AWU | 0.682927 | 0.941176 |
21 | UAD | 0.666667 | 0.941176 |
22 | UDX | 0.666667 | 0.941176 |
23 | UDP UDP | 0.662162 | 0.939394 |
24 | 3UC | 0.655172 | 0.888889 |
25 | UGA | 0.651163 | 0.955224 |
26 | UGB | 0.651163 | 0.955224 |
27 | USQ | 0.651163 | 0.820513 |
28 | UGF | 0.643678 | 0.901408 |
29 | G3N | 0.643678 | 0.914286 |
30 | HF4 | 0.620253 | 0.942029 |
31 | CTP | 0.620253 | 0.942029 |
32 | UD2 | 0.619565 | 0.927536 |
33 | UD1 | 0.619565 | 0.927536 |
34 | UDM | 0.615385 | 0.914286 |
35 | BUP | 0.6125 | 0.928571 |
36 | UP5 | 0.602041 | 0.853333 |
37 | DUT | 0.6 | 0.913043 |
38 | URI | 0.597015 | 0.863636 |
39 | HP7 | 0.589474 | 0.941176 |
40 | UD7 | 0.589474 | 0.927536 |
41 | Y6W | 0.586207 | 0.888889 |
42 | MJZ | 0.583333 | 0.914286 |
43 | UD4 | 0.57732 | 0.914286 |
44 | F5G | 0.57732 | 0.927536 |
45 | 12V | 0.57732 | 0.901408 |
46 | HWU | 0.57732 | 0.901408 |
47 | F5P | 0.57732 | 0.914286 |
48 | UDP GAL | 0.573034 | 0.913043 |
49 | IUG | 0.565657 | 0.810127 |
50 | EPZ | 0.558824 | 0.914286 |
51 | UDZ | 0.554455 | 0.853333 |
52 | EPU | 0.553398 | 0.901408 |
53 | EEB | 0.553398 | 0.901408 |
54 | CJB | 0.549296 | 0.820895 |
55 | CDP | 0.54321 | 0.942029 |
56 | 4TC | 0.528846 | 0.831169 |
57 | U3P | 0.526316 | 0.939394 |
58 | UA3 | 0.526316 | 0.939394 |
59 | CSV | 0.515464 | 0.851351 |
60 | CSQ | 0.515464 | 0.851351 |
61 | UMA | 0.513514 | 0.914286 |
62 | U4S | 0.512821 | 0.753425 |
63 | DUD | 0.512195 | 0.913043 |
64 | 5GW | 0.505618 | 0.942029 |
65 | U2S | 0.5 | 0.767123 |
66 | U3S | 0.5 | 0.753425 |
67 | FZK | 0.494382 | 0.777778 |
68 | H6Y | 0.48913 | 0.851351 |
69 | U21 | 0.487179 | 0.810127 |
70 | U2P | 0.487179 | 0.954545 |
71 | U20 | 0.487179 | 0.810127 |
72 | U22 | 0.487179 | 0.790123 |
73 | 4GW | 0.484211 | 0.915493 |
74 | 8GT | 0.483516 | 0.855263 |
75 | U1S | 0.483146 | 0.75 |
76 | 2QR | 0.478992 | 0.822785 |
77 | PUP | 0.473684 | 0.913043 |
78 | C5G | 0.46875 | 0.888889 |
79 | DKX | 0.467532 | 0.746479 |
80 | 0RC | 0.466667 | 0.864865 |
81 | LSU | 0.457447 | 0.738095 |
82 | 5FU | 0.45679 | 0.914286 |
83 | 4RA | 0.452381 | 0.855263 |
84 | C2G | 0.451613 | 0.901408 |
85 | 7XL | 0.450549 | 0.888889 |
86 | UAG | 0.448819 | 0.864865 |
87 | MGT | 0.447917 | 0.780488 |
88 | UD0 | 0.445312 | 0.844156 |
89 | 2TM | 0.444444 | 0.902778 |
90 | UMF | 0.444444 | 0.857143 |
91 | YSU | 0.44 | 0.746988 |
92 | 2TU | 0.434211 | 0.774648 |
93 | CAR | 0.433735 | 0.927536 |
94 | C5P | 0.433735 | 0.927536 |
95 | C | 0.433735 | 0.927536 |
96 | UMP | 0.433735 | 0.898551 |
97 | DU | 0.433735 | 0.898551 |
98 | 2GW | 0.432692 | 0.901408 |
99 | G8D | 0.430108 | 0.855263 |
100 | CDM | 0.428571 | 0.842105 |
101 | TTP | 0.428571 | 0.875 |
102 | 5BU | 0.428571 | 0.914286 |
103 | UTP U U U | 0.427083 | 0.895522 |
104 | 8OD | 0.425532 | 0.851351 |
105 | N3E | 0.425287 | 0.733333 |
106 | UC5 | 0.425287 | 0.9 |
107 | 91P | 0.424779 | 0.802469 |
108 | UUA | 0.421053 | 0.772727 |
109 | CXY | 0.42 | 0.888889 |
110 | PRT | 0.419048 | 0.813333 |
111 | CDC | 0.418367 | 0.777778 |
112 | 1GW | 0.418182 | 0.864865 |
113 | DUP | 0.417582 | 0.887324 |
114 | CNU | 0.413793 | 0.927536 |
115 | DCP | 0.413043 | 0.849315 |
116 | UML | 0.410072 | 0.810127 |
117 | UPA | 0.40708 | 0.842105 |
118 | 16B | 0.406977 | 0.888889 |
119 | D3T | 0.406593 | 0.875 |
120 | S5P | 0.404762 | 0.915493 |
121 | BMP | 0.404762 | 0.970149 |
122 | GTF | 0.404255 | 0.849315 |
123 | U2G | 0.4 | 0.822785 |
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 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | DCP MG | 0.9518 |
2 | DCT | 0.9455 |
3 | ANP | 0.9434 |
4 | ATP | 0.9337 |
5 | BEF ADP | 0.9318 |
6 | DTP | 0.9313 |
7 | ACP | 0.9261 |
8 | AGS | 0.9231 |
9 | GTP | 0.9210 |
10 | GNP | 0.9203 |
11 | DUT MG | 0.9178 |
12 | 3AT | 0.9158 |
13 | GSP | 0.9143 |
14 | F6G | 0.9104 |
15 | APC | 0.9039 |
16 | GDP BEF | 0.9026 |
17 | GCP | 0.9022 |
18 | BEF GDP | 0.9003 |
19 | ADP ALF | 0.8993 |
20 | DBG | 0.8957 |
21 | GDP ALF | 0.8949 |
22 | GH3 | 0.8948 |
23 | 9GM | 0.8937 |
24 | ALF GDP | 0.8931 |
25 | GDP AF3 | 0.8890 |
26 | HQ5 | 0.8790 |
27 | DGT | 0.8773 |
28 | HEJ | 0.8768 |
29 | TAT | 0.8726 |
30 | CDP MG | 0.8720 |
31 | L3U | 0.8714 |
32 | TYD | 0.8698 |
33 | ATF | 0.8669 |
34 | 0KX | 0.8668 |
35 | ADP BEF | 0.8633 |
36 | ADP | 0.8603 |
37 | YYY | 0.8596 |
38 | JSQ | 0.8556 |
39 | ADP AF3 | 0.8554 |
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 |