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- 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 | DGI | 1 | 1 |
2 | DGT | 0.897436 | 1 |
3 | DG | 0.815789 | 0.986842 |
4 | DGP | 0.815789 | 0.986842 |
5 | GDP | 0.636364 | 0.923077 |
6 | CGP | 0.622642 | 0.914634 |
7 | G3D | 0.619565 | 0.935065 |
8 | G4P | 0.606383 | 0.935065 |
9 | GH3 | 0.595745 | 0.948052 |
10 | GTP | 0.580645 | 0.923077 |
11 | GPX | 0.56701 | 0.922078 |
12 | GP3 | 0.554348 | 0.9 |
13 | 0O2 | 0.55 | 0.935065 |
14 | GNH | 0.542553 | 0.911392 |
15 | DAT | 0.538462 | 0.909091 |
16 | GNP | 0.536082 | 0.9 |
17 | 9GM | 0.536082 | 0.9 |
18 | G | 0.527473 | 0.910256 |
19 | 5GP | 0.527473 | 0.910256 |
20 | GCP | 0.525773 | 0.924051 |
21 | G1R | 0.525773 | 0.911392 |
22 | GAV | 0.525253 | 0.888889 |
23 | G2R | 0.524752 | 0.961538 |
24 | GSP | 0.520408 | 0.878049 |
25 | DI | 0.516484 | 0.960526 |
26 | G2P | 0.50505 | 0.936709 |
27 | BGO | 0.504425 | 0.878049 |
28 | GMV | 0.5 | 0.9 |
29 | GPD | 0.490909 | 0.902439 |
30 | 2GP | 0.48913 | 0.935065 |
31 | 3GP | 0.48913 | 0.897436 |
32 | GKE | 0.485981 | 0.888889 |
33 | GDD | 0.485981 | 0.888889 |
34 | GDC | 0.485981 | 0.888889 |
35 | ALF 5GP | 0.484848 | 0.823529 |
36 | HF7 | 0.484848 | 0.897436 |
37 | GP2 | 0.484536 | 0.936709 |
38 | DTP | 0.484536 | 0.909091 |
39 | GDP BEF | 0.48 | 0.864198 |
40 | P2G | 0.478723 | 0.860759 |
41 | GPG | 0.47619 | 0.888889 |
42 | GTP MG | 0.475248 | 0.886076 |
43 | 3PD UM3 | 0.474138 | 0.86747 |
44 | G5P | 0.472727 | 0.9 |
45 | Y9Z | 0.472222 | 0.880952 |
46 | GMP | 0.471264 | 0.810127 |
47 | GDP ALF | 0.471154 | 0.823529 |
48 | P1G | 0.46875 | 0.873418 |
49 | JB2 | 0.468468 | 0.888889 |
50 | GFB | 0.46789 | 0.888889 |
51 | GTG | 0.46789 | 0.86747 |
52 | GDR | 0.46789 | 0.888889 |
53 | G3A | 0.463636 | 0.9 |
54 | 6CK | 0.463636 | 0.86747 |
55 | GDP AF3 | 0.457143 | 0.823529 |
56 | GKD | 0.455357 | 0.888889 |
57 | GDX | 0.451327 | 0.9 |
58 | YGP | 0.449541 | 0.835294 |
59 | JB3 | 0.444444 | 0.878049 |
60 | CF2 | 0.44186 | 0.802326 |
61 | GGM | 0.441667 | 0.857143 |
62 | NGD | 0.440678 | 0.888889 |
63 | 8GD | 0.44 | 0.857143 |
64 | CAG | 0.430894 | 0.818182 |
65 | U2G | 0.428571 | 0.86747 |
66 | 3ZE | 0.424242 | 0.886076 |
67 | KB7 | 0.421569 | 0.785714 |
68 | CG2 | 0.421488 | 0.86747 |
69 | GDP 7MG | 0.421053 | 0.843373 |
70 | SGP | 0.418367 | 0.807229 |
71 | 2MD | 0.418033 | 0.827586 |
72 | MD1 | 0.417323 | 0.848837 |
73 | FEG | 0.416667 | 0.858824 |
74 | DU DU DU DU BRU DG DU | 0.416667 | 0.818182 |
75 | DUD | 0.414894 | 0.7875 |
76 | D5M | 0.414894 | 0.883117 |
77 | DA | 0.414894 | 0.883117 |
78 | AGO | 0.414634 | 0.86747 |
79 | ZGP | 0.413223 | 0.848837 |
80 | G1G | 0.412698 | 0.857143 |
81 | DBG | 0.410853 | 0.878049 |
82 | MGD | 0.408 | 0.827586 |
83 | GPC | 0.408 | 0.816092 |
84 | QBQ | 0.407767 | 0.910256 |
85 | DZ4 | 0.407767 | 0.886076 |
86 | YYY | 0.40625 | 0.848101 |
87 | PGD | 0.40625 | 0.857143 |
88 | IDP | 0.405941 | 0.897436 |
89 | 6OG | 0.40404 | 0.875 |
90 | TPG | 0.4 | 0.782609 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ADP | 0.9763 |
2 | A12 | 0.9490 |
3 | ADP MG | 0.9406 |
4 | TBD | 0.9380 |
5 | AN2 | 0.9340 |
6 | TYD | 0.9247 |
7 | ADX | 0.9232 |
8 | CDP | 0.9158 |
9 | KG4 | 0.9147 |
10 | GDP MG | 0.9144 |
11 | M7G | 0.9119 |
12 | UDP | 0.8977 |
13 | CA0 | 0.8931 |
14 | SON | 0.8910 |
15 | D4D | 0.8850 |
16 | ATP | 0.8847 |
17 | G8D | 0.8842 |
18 | CDP MG | 0.8830 |
19 | AU1 | 0.8796 |
20 | AP2 | 0.8763 |
21 | A5A | 0.8740 |
22 | BEF ADP | 0.8735 |
23 | ANP | 0.8732 |
24 | M33 | 0.8712 |
25 | 6AD | 0.8712 |
26 | ADP AF3 | 0.8706 |
27 | 6RE | 0.8705 |
28 | AV2 | 0.8685 |
29 | AMP | 0.8669 |
30 | G5A | 0.8668 |
31 | ADP BEF | 0.8665 |
32 | ACP | 0.8664 |
33 | 71V | 0.8662 |
34 | BEF GDP | 0.8630 |
35 | SAM | 0.8627 |
36 | 7D3 | 0.8620 |
37 | XMP | 0.8618 |
38 | AGS | 0.8617 |
39 | J7C | 0.8560 |
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 |