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- Structure Biounit | Ligand Information
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 7 families. | |||||
1 | 2X62 | - | CH | C9 H15 N3 O8 P | C1=C(NC(=O.... |
2 | 1RO8 | - | C5P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
3 | 2X63 | - | C | C9 H14 N3 O8 P | C1=CN(C(=O.... |
4 | 2X61 | - | CH | C9 H15 N3 O8 P | C1=C(NC(=O.... |
5 | 2WQQ | - | CSF | C20 H30 F N4 O16 P | CC(=O)N[C@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 6 families. | |||||
1 | 2P2V | - | CSF | C20 H30 F N4 O16 P | CC(=O)N[C@.... |
2 | 2X62 | - | CH | C9 H15 N3 O8 P | C1=C(NC(=O.... |
3 | 1RO8 | - | C5P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
4 | 2X63 | - | C | C9 H14 N3 O8 P | C1=CN(C(=O.... |
5 | 2X61 | - | CH | C9 H15 N3 O8 P | C1=C(NC(=O.... |
6 | 2WQQ | - | CSF | C20 H30 F N4 O16 P | CC(=O)N[C@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | C5P | 1 | 1 |
2 | CAR | 1 | 1 |
3 | C | 1 | 1 |
4 | CDP | 0.787879 | 0.985507 |
5 | CTP | 0.753623 | 0.985507 |
6 | HF4 | 0.753623 | 0.985507 |
7 | CDP MG | 0.735294 | 0.956522 |
8 | 2TM | 0.732394 | 0.944444 |
9 | 0RC | 0.689189 | 0.905405 |
10 | 7XL | 0.689189 | 0.930556 |
11 | 16B | 0.676471 | 0.930556 |
12 | AR3 | 0.672131 | 0.842857 |
13 | CTN | 0.672131 | 0.842857 |
14 | C2G | 0.662338 | 0.943662 |
15 | I5A | 0.634921 | 0.828571 |
16 | C5G | 0.634146 | 0.930556 |
17 | CDC | 0.62963 | 0.8375 |
18 | CDM | 0.621951 | 0.881579 |
19 | CXY | 0.607143 | 0.930556 |
20 | TKW | 0.591549 | 0.985507 |
21 | C3P | 0.585714 | 0.956522 |
22 | CDP RB0 | 0.581395 | 0.90411 |
23 | 5HM | 0.575342 | 0.944444 |
24 | U5P | 0.571429 | 0.941176 |
25 | U | 0.571429 | 0.941176 |
26 | CSQ | 0.555556 | 0.917808 |
27 | CSV | 0.555556 | 0.917808 |
28 | 1AA | 0.554348 | 0.893333 |
29 | FZQ | 0.548781 | 0.785714 |
30 | A7R | 0.542553 | 0.917808 |
31 | C2P | 0.541667 | 0.942857 |
32 | PMT | 0.540816 | 0.860759 |
33 | DC | 0.540541 | 0.902778 |
34 | DCM | 0.540541 | 0.902778 |
35 | HQ5 | 0.523256 | 0.767442 |
36 | DKZ | 0.521127 | 0.733333 |
37 | YSC | 0.5 | 0.776471 |
38 | G G 6MZ C | 0.5 | 0.825 |
39 | 91P | 0.495146 | 0.839506 |
40 | FN5 | 0.495146 | 0.858974 |
41 | DOC | 0.493333 | 0.902778 |
42 | 5BU | 0.486842 | 0.876712 |
43 | ICR | 0.486842 | 0.861111 |
44 | 2AA | 0.485714 | 0.683673 |
45 | MCN | 0.485714 | 0.807229 |
46 | GPC | 0.481481 | 0.829268 |
47 | NCC | 0.481132 | 0.905405 |
48 | G C | 0.481132 | 0.848101 |
49 | 5FU | 0.48 | 0.876712 |
50 | CSF | 0.476636 | 0.858974 |
51 | PCD | 0.464286 | 0.770115 |
52 | C5P SIA | 0.458716 | 0.88 |
53 | YYY | 0.451219 | 0.890411 |
54 | UDP | 0.45 | 0.927536 |
55 | CNU | 0.45 | 0.915493 |
56 | 44P | 0.448718 | 0.888889 |
57 | DCP | 0.447059 | 0.890411 |
58 | GTF | 0.436782 | 0.890411 |
59 | V12 | 0.43617 | 0.7375 |
60 | NUP | 0.435897 | 0.929577 |
61 | GCQ | 0.435294 | 0.890411 |
62 | UTP | 0.433735 | 0.927536 |
63 | 2KH | 0.428571 | 0.901408 |
64 | U5F | 0.428571 | 0.927536 |
65 | UP6 | 0.428571 | 0.887324 |
66 | NVG | 0.427083 | 0.719512 |
67 | 0KX | 0.425287 | 0.866667 |
68 | S5P | 0.423077 | 0.853333 |
69 | GEO | 0.418919 | 0.77027 |
70 | H2U | 0.415584 | 0.861111 |
71 | UDP UDP | 0.414634 | 0.898551 |
72 | FNU | 0.4125 | 0.88 |
73 | JW5 | 0.4125 | 0.901408 |
74 | 8GM | 0.411765 | 0.906667 |
75 | LDC | 0.410959 | 0.77027 |
76 | DCZ | 0.410959 | 0.77027 |
77 | UPU | 0.409091 | 0.9 |
78 | 6MZ C U | 0.408 | 0.825 |
79 | BMP | 0.405063 | 0.901408 |
80 | BMQ | 0.402597 | 0.885714 |
81 | 8OP | 0.402299 | 0.853333 |
82 | UNP | 0.402299 | 0.901408 |
83 | DCT | 0.402299 | 0.890411 |
84 | U6M | 0.4 | 0.914286 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | CH | 0.9913 |
2 | PSU | 0.9811 |
3 | DU | 0.9730 |
4 | UMP | 0.9709 |
5 | DUS | 0.9706 |
6 | TMP | 0.9658 |
7 | UMC | 0.9608 |
8 | DDN | 0.9577 |
9 | PFU | 0.9563 |
10 | 5CM | 0.9536 |
11 | NYM | 0.9519 |
12 | UFP | 0.9516 |
13 | BRU | 0.9504 |
14 | QBT | 0.9498 |
15 | AIR | 0.9479 |
16 | 5IU | 0.9455 |
17 | IMP | 0.9444 |
18 | AMZ | 0.9441 |
19 | IRP | 0.9436 |
20 | AMP | 0.9418 |
21 | FDM | 0.9412 |
22 | FMP | 0.9408 |
23 | U4S | 0.9401 |
24 | DA | 0.9391 |
25 | D5M | 0.9388 |
26 | 9L3 | 0.9387 |
27 | C2R | 0.9361 |
28 | U3S | 0.9340 |
29 | 6CN | 0.9337 |
30 | 8BR | 0.9334 |
31 | NIA | 0.9314 |
32 | AS | 0.9289 |
33 | 6MZ | 0.9275 |
34 | U1S | 0.9257 |
35 | 2DT | 0.9214 |
36 | D4M | 0.9214 |
37 | 6AU | 0.9205 |
38 | IRN | 0.9202 |
39 | 5HU | 0.9197 |
40 | U2S | 0.9174 |
41 | OMP | 0.9161 |
42 | NMN | 0.9141 |
43 | IMU | 0.9139 |
44 | GAR | 0.9132 |
45 | G | 0.9124 |
46 | 5GP | 0.9123 |
47 | M2T | 0.9120 |
48 | 6MA | 0.9117 |
49 | NCN | 0.9115 |
50 | 71V | 0.9084 |
51 | N5O | 0.9084 |
52 | T3S | 0.9072 |
53 | ZAS | 0.9067 |
54 | 2OM | 0.9062 |
55 | NEC | 0.8998 |
56 | DG | 0.8994 |
57 | DGP | 0.8994 |
58 | 8OG | 0.8941 |
59 | ATM | 0.8938 |
60 | MTA | 0.8935 |
61 | FAI | 0.8922 |
62 | O8M | 0.8897 |
63 | 6SY | 0.8882 |
64 | CMP | 0.8878 |
65 | XMP | 0.8870 |
66 | AZU | 0.8853 |
67 | RP1 | 0.8824 |
68 | 5QT | 0.8820 |
69 | JLN | 0.8778 |
70 | DRM | 0.8775 |
71 | PZB | 0.8769 |
72 | URI | 0.8767 |
73 | N8M | 0.8767 |
74 | TXS | 0.8760 |
75 | SP1 | 0.8745 |
76 | VKE | 0.8735 |
77 | TYD | 0.8676 |
78 | ML2 | 0.8674 |
79 | 2GE | 0.8669 |
80 | UUA | 0.8657 |
81 | O7E | 0.8631 |
82 | K6B | 0.8628 |
83 | PCG | 0.8573 |
84 | 35G | 0.8573 |
85 | URD | 0.8554 |
This union binding pocket(no: 1) in the query (biounit: 2x61.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2x61.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2x61.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2x61.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 2x61.bio2) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 2x61.bio2) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 2x61.bio2) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 2x61.bio2) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 9) in the query (biounit: 2x61.bio2) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |