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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 2HVW | - | DDN | C9 H15 N2 O8 P | C1[C@@H]([.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 2HVW | - | DDN | C9 H15 N2 O8 P | C1[C@@H]([.... |
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 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DDN | 1 | 1 |
2 | UMP | 0.632353 | 1 |
3 | DU | 0.632353 | 1 |
4 | 5IU | 0.561644 | 0.929577 |
5 | UFP | 0.555556 | 0.929577 |
6 | BRU | 0.547945 | 0.929577 |
7 | 5HU | 0.547945 | 0.942857 |
8 | TMP | 0.547945 | 0.956522 |
9 | DCM | 0.527027 | 0.928571 |
10 | DC | 0.527027 | 0.928571 |
11 | DUD | 0.506494 | 0.985075 |
12 | UC5 | 0.506494 | 0.970588 |
13 | 5CM | 0.506494 | 0.890411 |
14 | BVP | 0.5 | 0.942857 |
15 | DUT | 0.481481 | 0.985075 |
16 | DUP | 0.47561 | 0.956522 |
17 | DUN | 0.475 | 0.956522 |
18 | UMC | 0.466667 | 0.941176 |
19 | QBT | 0.460526 | 0.927536 |
20 | DUT MG | 0.440476 | 0.955224 |
21 | TYD | 0.439024 | 0.942857 |
22 | UMP AF3 PO4 | 0.430233 | 0.876712 |
23 | YYY | 0.421687 | 0.915493 |
24 | TTP | 0.418605 | 0.942857 |
25 | DUS | 0.415584 | 0.853333 |
26 | 8OG | 0.406977 | 0.835443 |
27 | DCP | 0.402299 | 0.915493 |
28 | ZEB | 0.4 | 0.771429 |
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 | Similarity coefficient |
---|---|---|
1 | U | 0.9803 |
2 | C5P | 0.9698 |
3 | U5P | 0.9644 |
4 | C | 0.9577 |
5 | H2U | 0.9552 |
6 | FDM | 0.9551 |
7 | NYM | 0.9548 |
8 | CH | 0.9543 |
9 | FN5 | 0.9543 |
10 | UP6 | 0.9500 |
11 | DOC | 0.9465 |
12 | 16B | 0.9449 |
13 | 5BU | 0.9402 |
14 | BMP | 0.9361 |
15 | CAR | 0.9308 |
16 | 5FU | 0.9278 |
17 | NUP | 0.9275 |
18 | PSU | 0.9234 |
19 | BMQ | 0.9217 |
20 | AMP | 0.9211 |
21 | TKW | 0.9211 |
22 | AIR | 0.9195 |
23 | PFU | 0.9165 |
24 | D4M | 0.9163 |
25 | 2DT | 0.9163 |
26 | AMZ | 0.9154 |
27 | C2R | 0.9124 |
28 | S5P | 0.9102 |
29 | 9L3 | 0.9097 |
30 | U6M | 0.9083 |
31 | DA | 0.9064 |
32 | D5M | 0.9063 |
33 | DI | 0.9060 |
34 | O7E | 0.9043 |
35 | MZP | 0.9032 |
36 | IMP | 0.9019 |
37 | FNU | 0.9014 |
38 | 5HM | 0.9012 |
39 | T3S | 0.9002 |
40 | AS | 0.8990 |
41 | U4S | 0.8980 |
42 | 6CN | 0.8968 |
43 | IRN | 0.8956 |
44 | ATM | 0.8950 |
45 | CNU | 0.8950 |
46 | CMP | 0.8883 |
47 | GAR | 0.8867 |
48 | JW5 | 0.8857 |
49 | 5GP | 0.8844 |
50 | 71V | 0.8843 |
51 | TXS | 0.8823 |
52 | 8BR | 0.8787 |
53 | G | 0.8785 |
54 | NMN | 0.8782 |
55 | FMP | 0.8779 |
56 | DG | 0.8731 |
57 | IRP | 0.8726 |
58 | RP1 | 0.8726 |
59 | U2S | 0.8723 |
60 | PZB | 0.8712 |
61 | SP1 | 0.8710 |
62 | 6MA | 0.8696 |
63 | OMP | 0.8694 |
64 | MTA | 0.8691 |
65 | 5QT | 0.8685 |
66 | MTM | 0.8678 |
67 | 6SY | 0.8675 |
68 | XMP | 0.8664 |
69 | NCN | 0.8658 |
70 | 8OP | 0.8652 |
71 | CDP | 0.8643 |
72 | DUR | 0.8612 |
73 | AZU | 0.8581 |
74 | VIB | 0.8575 |
75 | UDP | 0.8568 |
76 | STS | 0.8563 |
77 | SIJ | 0.8537 |
78 | URI | 0.8527 |
79 | 4X2 | 0.8524 |
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: 2hvw.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2hvw.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2hvw.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2hvw.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 2hvw.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 2hvw.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 2hvw.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 2hvw.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 9) in the query (biounit: 2hvw.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 10) in the query (biounit: 2hvw.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |