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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 | 3EVO | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
2 | 3ELH | - | DUD | C9 H14 N2 O11 P2 | C1[C@@H]([.... |
3 | 3GP9 | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
4 | 3EJM | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
5 | 3FBB | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
6 | 3EMT | - | DGI | C10 H15 N5 O10 P2 | c1nc2c(n1[.... |
7 | 3FCV | - | DUD | C9 H14 N2 O11 P2 | C1[C@@H]([.... |
8 | 3EIC | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
9 | 3EVM | - | YYY | C9 H15 N3 O10 P2 | C1[C@@H]([.... |
10 | 3B6B | - | DGI | C10 H15 N5 O10 P2 | c1nc2c(n1[.... |
11 | 3FCW | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
12 | 2B8Q | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
13 | 3DKD | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
14 | 3DDI | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
15 | 3FBE | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
16 | 3ETM | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
17 | 3GPA | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
18 | 3ENA | - | DGI | C10 H15 N5 O10 P2 | c1nc2c(n1[.... |
19 | 3EM1 | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
20 | 3EE3 | - | CDP MG | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1F6T | - | TBD | C10 H19 B N2 O10 P2 | [BH3-][P@@.... |
2 | 1NDP | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
3 | 3FKB | - | TNM | C9 H15 N5 O7 P2 | C[C@H](Cn1.... |
4 | 1KDN | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
5 | 1LWX | - | AZD | C10 H15 N5 O10 P2 | CC1=CN(C(=.... |
6 | 1NDC | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
7 | 2BEF | - | BEF ADP | n/a | n/a |
8 | 1F3F | Kd = 21.3 uM | D4T | C10 H15 N2 O13 P3 | CC1=CN(C(=.... |
9 | 4CP5 | Kd = 452 uM | EOI | C9 H16 N5 O9 P3 S | C[C@H](Cn1.... |
10 | 1B4S | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
11 | 1S5Z | - | SON | C12 H16 N5 O8 P | c1nc(c2c(n.... |
12 | 1MN7 | - | ABT | C10 H17 B N5 O12 P3 | B=P(O)(OC[.... |
13 | 3EVO | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
14 | 3ELH | - | DUD | C9 H14 N2 O11 P2 | C1[C@@H]([.... |
15 | 3GP9 | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
16 | 3EJM | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
17 | 3FBB | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
18 | 3EMT | - | DGI | C10 H15 N5 O10 P2 | c1nc2c(n1[.... |
19 | 3FCV | - | DUD | C9 H14 N2 O11 P2 | C1[C@@H]([.... |
20 | 3EIC | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
21 | 3EVM | - | YYY | C9 H15 N3 O10 P2 | C1[C@@H]([.... |
22 | 3B6B | - | DGI | C10 H15 N5 O10 P2 | c1nc2c(n1[.... |
23 | 3FCW | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
24 | 2B8Q | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
25 | 3DKD | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
26 | 3DDI | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
27 | 3FBE | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
28 | 3ETM | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
29 | 3GPA | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
30 | 3ENA | - | DGI | C10 H15 N5 O10 P2 | c1nc2c(n1[.... |
31 | 3EM1 | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
32 | 3EE3 | - | CDP MG | n/a | n/a |
33 | 3NGU | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
34 | 3Q86 | - | GTP MG | n/a | n/a |
35 | 3Q8U | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
36 | 3Q8V | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
37 | 1WKL | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
38 | 1ZS6 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
39 | 6XPV | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
40 | 6XPW | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
41 | 6XPU | - | IDP | C10 H14 N4 O11 P2 | c1nc2c(n1[.... |
42 | 6XPT | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
43 | 6XP7 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
44 | 6XPS | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
45 | 4UOG | - | YYY | C9 H15 N3 O10 P2 | C1[C@@H]([.... |
46 | 4UOH | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
47 | 2AZ3 | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
48 | 1NHK | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
49 | 1NLK | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
50 | 1BE4 | - | PCG | C10 H12 N5 O7 P | c1nc2c(n1[.... |
51 | 3BBB | - | DG | C10 H14 N5 O7 P | c1nc2c(n1[.... |
52 | 1NUE | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
53 | 1BHN | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
54 | 2HVD | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
55 | 1UCN | Kd = 6 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
56 | 3BBF | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
57 | 2HVE | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | CDP | 1 | 1 |
2 | HF4 | 0.895522 | 1 |
3 | CTP | 0.895522 | 1 |
4 | CAR | 0.787879 | 0.985507 |
5 | C | 0.787879 | 0.985507 |
6 | C5P | 0.787879 | 0.985507 |
7 | 7XL | 0.77027 | 0.944444 |
8 | 0RC | 0.77027 | 0.918919 |
9 | 2TM | 0.743243 | 0.958333 |
10 | C2G | 0.74026 | 0.957747 |
11 | CDC | 0.725 | 0.82716 |
12 | CDP MG | 0.722222 | 0.942857 |
13 | C5G | 0.707317 | 0.944444 |
14 | CDM | 0.695122 | 0.894737 |
15 | CXY | 0.678571 | 0.944444 |
16 | AR3 | 0.636364 | 0.857143 |
17 | CTN | 0.636364 | 0.857143 |
18 | 1AA | 0.619565 | 0.906667 |
19 | A7R | 0.606383 | 0.931507 |
20 | UDP | 0.605263 | 0.942029 |
21 | I5A | 0.602941 | 0.816901 |
22 | YYY | 0.582278 | 0.90411 |
23 | CDP RB0 | 0.577778 | 0.917808 |
24 | GCQ | 0.560976 | 0.90411 |
25 | C3P | 0.56 | 0.942857 |
26 | MCN | 0.557692 | 0.819277 |
27 | PMT | 0.554455 | 0.85 |
28 | 91P | 0.553398 | 0.851852 |
29 | UTP | 0.54321 | 0.942029 |
30 | 2AA | 0.542857 | 0.693878 |
31 | 16B | 0.538462 | 0.917808 |
32 | CSV | 0.536842 | 0.905405 |
33 | CSQ | 0.536842 | 0.905405 |
34 | U5F | 0.536585 | 0.942029 |
35 | DCP | 0.535714 | 0.90411 |
36 | GTF | 0.523256 | 0.90411 |
37 | C2P | 0.519481 | 0.957143 |
38 | PCD | 0.517857 | 0.781609 |
39 | FZQ | 0.511364 | 0.797619 |
40 | FN5 | 0.509434 | 0.871795 |
41 | GPC | 0.509091 | 0.819277 |
42 | CSF | 0.504587 | 0.871795 |
43 | DKZ | 0.5 | 0.746667 |
44 | NCC | 0.495413 | 0.918919 |
45 | HQ5 | 0.48913 | 0.758621 |
46 | UNP | 0.488372 | 0.915493 |
47 | DCT | 0.488372 | 0.90411 |
48 | TKW | 0.4875 | 0.971429 |
49 | G G 6MZ C | 0.486239 | 0.814815 |
50 | G C | 0.481818 | 0.8375 |
51 | 5GW | 0.477778 | 0.890411 |
52 | 5HM | 0.47561 | 0.958333 |
53 | BUP | 0.471264 | 0.878378 |
54 | YSC | 0.469388 | 0.767442 |
55 | DCM | 0.463415 | 0.890411 |
56 | DC | 0.463415 | 0.890411 |
57 | UPP | 0.451613 | 0.888889 |
58 | UDH | 0.451613 | 0.844156 |
59 | G8D | 0.450549 | 0.907895 |
60 | U | 0.45 | 0.927536 |
61 | U5P | 0.45 | 0.927536 |
62 | C5P SIA | 0.447368 | 0.893333 |
63 | 660 | 0.446809 | 0.876712 |
64 | UFM | 0.446809 | 0.888889 |
65 | GDU | 0.446809 | 0.888889 |
66 | URM | 0.446809 | 0.876712 |
67 | UPG | 0.446809 | 0.888889 |
68 | 8OD | 0.445652 | 0.855263 |
69 | 0KX | 0.444444 | 0.88 |
70 | UPU | 0.444444 | 0.887324 |
71 | 4GW | 0.443299 | 0.866667 |
72 | DOC | 0.439024 | 0.890411 |
73 | M7G | 0.43617 | 0.829268 |
74 | U2F | 0.43299 | 0.842105 |
75 | UFG | 0.43299 | 0.842105 |
76 | UPF | 0.43299 | 0.842105 |
77 | 2KH | 0.431818 | 0.915493 |
78 | AWU | 0.427083 | 0.888889 |
79 | CG2 | 0.421053 | 0.873418 |
80 | G3N | 0.42 | 0.890411 |
81 | UDP UDP | 0.418605 | 0.885714 |
82 | UDX | 0.418367 | 0.888889 |
83 | UAD | 0.418367 | 0.888889 |
84 | 44P | 0.416667 | 0.902778 |
85 | 3UC | 0.415842 | 0.842105 |
86 | DCP MG | 0.413043 | 0.851351 |
87 | M7M | 0.412371 | 0.797619 |
88 | 8GT | 0.410526 | 0.907895 |
89 | V12 | 0.41 | 0.75 |
90 | UGB | 0.41 | 0.901408 |
91 | UGA | 0.41 | 0.901408 |
92 | USQ | 0.41 | 0.780488 |
93 | UGF | 0.405941 | 0.853333 |
94 | UP5 | 0.405405 | 0.857143 |
95 | GEO | 0.405063 | 0.783784 |
96 | UDM | 0.403846 | 0.864865 |
97 | H6Y | 0.402062 | 0.855263 |
98 | NVG | 0.401961 | 0.731707 |
99 | CTP C C C C | 0.4 | 0.915493 |
100 | 6MZ C U | 0.4 | 0.814815 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | CDP MG | 1 | 1 |
2 | CAR | 0.735294 | 0.956522 |
3 | C | 0.735294 | 0.956522 |
4 | C5P | 0.735294 | 0.956522 |
5 | CDP | 0.722222 | 0.942857 |
6 | CDP RB0 | 0.690476 | 0.943662 |
7 | CTP | 0.671053 | 0.942857 |
8 | HF4 | 0.671053 | 0.942857 |
9 | CDC | 0.662651 | 0.848101 |
10 | 2TM | 0.653846 | 0.90411 |
11 | 7XL | 0.6375 | 0.916667 |
12 | 0RC | 0.6375 | 0.891892 |
13 | C2G | 0.614458 | 0.929577 |
14 | UDP UDP | 0.605263 | 0.940298 |
15 | AR3 | 0.588235 | 0.855072 |
16 | CTN | 0.588235 | 0.855072 |
17 | CXY | 0.58427 | 0.916667 |
18 | I5A | 0.57971 | 0.84058 |
19 | CDM | 0.579545 | 0.868421 |
20 | C5G | 0.573034 | 0.916667 |
21 | G G 6MZ C | 0.528302 | 0.858974 |
22 | G C | 0.523364 | 0.858974 |
23 | 1AA | 0.520408 | 0.88 |
24 | DCP MG | 0.511628 | 0.901408 |
25 | FZQ | 0.511364 | 0.77381 |
26 | A7R | 0.51 | 0.930556 |
27 | CSQ | 0.505155 | 0.90411 |
28 | CSV | 0.505155 | 0.90411 |
29 | C3P | 0.5 | 0.914286 |
30 | C5P SIA | 0.5 | 0.917808 |
31 | 16B | 0.5 | 0.890411 |
32 | CTP C C C C | 0.495146 | 0.942029 |
33 | HQ5 | 0.48913 | 0.755814 |
34 | MCN | 0.486239 | 0.795181 |
35 | FN5 | 0.481481 | 0.846154 |
36 | 91P | 0.481481 | 0.82716 |
37 | PMT | 0.481132 | 0.825 |
38 | YSC | 0.469388 | 0.764706 |
39 | C2P | 0.4625 | 0.901408 |
40 | DKZ | 0.461538 | 0.743243 |
41 | 2AA | 0.459459 | 0.673469 |
42 | NCC | 0.442478 | 0.891892 |
43 | CSF | 0.438596 | 0.846154 |
44 | TKW | 0.433735 | 0.942857 |
45 | 6MZ C U | 0.433071 | 0.858974 |
46 | UDP GAL | 0.43299 | 0.887324 |
47 | GPC | 0.431034 | 0.795181 |
48 | PCD | 0.428571 | 0.758621 |
49 | 5HM | 0.423529 | 0.90411 |
50 | DOC | 0.421687 | 0.863014 |
51 | YYY | 0.420455 | 0.851351 |
52 | UDP | 0.418605 | 0.885714 |
53 | G 6MZ C U | 0.415385 | 0.87013 |
54 | U | 0.414634 | 0.898551 |
55 | U5P | 0.414634 | 0.898551 |
56 | DCM | 0.411765 | 0.863014 |
57 | DC | 0.411765 | 0.863014 |
58 | V12 | 0.41 | 0.746835 |
59 | GCQ | 0.406593 | 0.851351 |
60 | DCP | 0.402174 | 0.851351 |
61 | NVG | 0.401961 | 0.728395 |
62 | OMC OMU OMG OMG U | 0.401515 | 0.82716 |
63 | 44P | 0.4 | 0.849315 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | DUD | 0.9790 |
2 | TBD | 0.9634 |
3 | TYD | 0.9611 |
4 | ADP | 0.9333 |
5 | D4D | 0.9313 |
6 | DUN | 0.9274 |
7 | ADX | 0.9253 |
8 | IDP | 0.9252 |
9 | BEF ADP | 0.9235 |
10 | AU1 | 0.9225 |
11 | AN2 | 0.9215 |
12 | ADP MG | 0.9194 |
13 | UMP | 0.9193 |
14 | AP2 | 0.9182 |
15 | A12 | 0.9182 |
16 | DGI | 0.9158 |
17 | M33 | 0.9122 |
18 | CUU | 0.9102 |
19 | GDP | 0.9093 |
20 | AMP | 0.9080 |
21 | U3S | 0.9071 |
22 | DAT | 0.9016 |
23 | TMP | 0.8942 |
24 | U1S | 0.8914 |
25 | CH | 0.8874 |
26 | H2U | 0.8816 |
27 | 2A5 | 0.8762 |
28 | DU | 0.8746 |
29 | SON | 0.8726 |
30 | SSA | 0.8707 |
31 | AZD | 0.8684 |
32 | 7D3 | 0.8672 |
33 | T3S | 0.8656 |
34 | DDN | 0.8643 |
35 | DUT | 0.8631 |
36 | AMZ | 0.8619 |
37 | C8M | 0.8613 |
38 | BMP | 0.8569 |
This union binding pocket(no: 1) in the query (biounit: 3em1.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3em1.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 3em1.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 3em1.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 3em1.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 3em1.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |