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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 4 families. | |||||
1 | 1Z6D | Ki = 4.6 mM | IMP | C10 H13 N4 O8 P | c1nc2c(n1[.... |
2 | 1O0H | Ki = 1.2 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
3 | 1JVU | - | C2P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
4 | 3D7B | Ki = 203 uM | U4S | C13 H19 N3 O5 | C1CCN(C1)C.... |
5 | 3FL1 | - | CGP | C19 H25 N8 O10 P | c1nc2c(n1[.... |
6 | 6PVW | Ki = 0.48 uM | OZV | C10 H16 N5 O18 P5 | c1nc(c2c(n.... |
7 | 3D6Q | Ki = 172 uM | U3S | C14 H21 N3 O5 | C1CCN(CC1).... |
8 | 3JW1 | - | U5P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
9 | 3EV6 | - | RSF | C6 H10 O3 | C1CO[C@H]2.... |
10 | 2W5I | Ki = 0.86 uM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
11 | 3D8Y | Ki = 396 uM | T3S | C15 H23 N3 O4 | CC1=CN(C(=.... |
12 | 3D6O | Ki = 77 uM | U1S | C17 H25 N3 O7 | CCOC(=O)C1.... |
13 | 3LXO | Kd = 15 uM | T3P | C10 H15 N2 O8 P | CC1=CN(C(=.... |
14 | 1O0O | Ki = 8 uM | A2P | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
15 | 1RPF | - | C3P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
16 | 3D6P | Ki = 179 uM | U2S | C13 H19 N3 O6 | C1COCCN1C[.... |
17 | 4G8V | Ki = 1.6 uM | 0EY | C12 H15 N5 O6 | c1c(nnn1[C.... |
18 | 1RNC | - | 5GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
19 | 4WYZ | Kd = 50 uM | U3P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
20 | 1ROB | - | C2P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
21 | 1W4Q | Ki = 5.5 uM | UMF | C9 H12 F N2 O8 P | C1=CN(C(=O.... |
22 | 6PVV | Ki = 1.4 uM | 5FA | C10 H18 N5 O19 P5 | c1nc(c2c(n.... |
23 | 1O0F | Ki = 5 uM | A3P | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
24 | 3EV4 | - | ETF | C2 H3 F3 O | C(C(F)(F)F.... |
25 | 1RCA | - | CGP | C19 H25 N8 O10 P | c1nc2c(n1[.... |
26 | 1RND | - | DGP | C10 H14 N5 O7 P | c1nc2c(n1[.... |
27 | 4RSK | Kd = 47.4 uM | U3P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
28 | 1RCN | - | DA DT DA DA | n/a | n/a |
29 | 6PVX | Ki = 0.068 uM | U5F | C9 H17 N2 O21 P5 | C1=CN(C(=O.... |
30 | 1RNM | - | C5P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
31 | 2W5K | Ki = 12 uM | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
32 | 2G8R | Ki = 103 uM | N3E | C15 H21 N3 O7 | C1CN(CCC1C.... |
33 | 1U1B | Kd = 16 nM | PAX | C20 H27 N7 O20 P4 | CC1=CN(C(=.... |
34 | 1QHC | Ki = 27 nM | PUA | C19 H27 N7 O20 P4 | c1nc(c2c(n.... |
35 | 3FL0 | - | CGP | C19 H25 N8 O10 P | c1nc2c(n1[.... |
36 | 4WYP | Kd = 440 uM | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
37 | 1O0M | Ki = 7.1 uM | U2P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
38 | 2QCA | - | DGP | C10 H14 N5 O7 P | c1nc2c(n1[.... |
39 | 3EV5 | - | TMO | C3 H9 N O | C[N+](C)(C.... |
40 | 4S18 | - | 1PT | C6 H14 N2 Pt | C1CC[C@@H].... |
41 | 1EOS | - | U2G | C19 H24 N7 O13 P | c1nc2c(n1[.... |
42 | 4RTE | - | CPT | Cl2 H6 N2 Pt | [NH3][Pt](.... |
43 | 6XHC | - | V2G | C12 H17 N6 O8 P | c1nc(c2c(n.... |
44 | 1W4O | Ki = 3 uM | UA3 | C9 H13 N2 O9 P | C1=CN(C(=O.... |
45 | 1RNN | - | C5P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
46 | 2XOG | Ki = 0.37 mM | SFB | C20 H28 N8 O11 S | c1nc(c2c(n.... |
47 | 6YO1 | - | UVC | C9 H12 N2 O9 V | C1=CN(C(=O.... |
48 | 1W4P | Ki = 18 uM | UM3 | C9 H13 N2 O8 P | C1[C@@H]([.... |
49 | 1AFL | Ki = 520 nM | ATR | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
50 | 3EV3 | - | TBU | C4 H10 O | CC(C)(C)O |
51 | 3RID | - | CGP | C19 H25 N8 O10 P | c1nc2c(n1[.... |
52 | 1RPG | - | CPA | C19 H25 N8 O9 P | c1nc(c2c(n.... |
53 | 1WBU | - | WBU | C4 H5 N3 O2 | C1=C(C(=O).... |
54 | 6QE9 | - | J9H | C17 H18 N3 Pt | Cc1ccc2ccc.... |
55 | 4G8Y | Ki = 25.8 uM | 0FT | C13 H17 N5 O6 | CC1=CN(C(=.... |
56 | 1JN4 | Ki = 11.3 uM | 139 | C19 H25 N7 O14 P2 | c1nc(c2c(n.... |
57 | 1O0N | Ki = 82 uM | U3P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
58 | 1AFK | Ki = 240 nM | PAP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
59 | 2XOI | Ki = 0.00046 M | SFB | C20 H28 N8 O11 S | c1nc(c2c(n.... |
60 | 1EOW | - | U2G | C19 H24 N7 O13 P | c1nc2c(n1[.... |
61 | 5OGH | - | C3P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
62 | 5NA9 | - | QPT | C6 H12 N2 O4 Pt | C1CC2(C1)C.... |
63 | 1F0V | - | DC DG | n/a | n/a |
64 | 2W5L | Ki = 63 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
65 | 1RUV | - | UVC | C9 H12 N2 O9 V | C1=CN(C(=O.... |
66 | 1Z6S | Ki = 46 uM | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
67 | 4G90 | Ki = 30.8 uM | 0G0 | C12 H14 F N5 O6 | c1c(nnn1[C.... |
68 | 6F60 | - | DVW | C27 H31 N7 O5 Pt | CC1=CC=C2C.... |
69 | 2W5G | Ki = 0.86 uM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
70 | 3D8Z | Ki = 423 uM | TXS | C14 H21 N3 O4 | CC1=CN(C(=.... |
71 | 5JLG | - | RU | Ru | [Ru+3] |
72 | 11BA | - | UPA | C19 H24 N7 O12 P | c1nc(c2c(n.... |
73 | 1TQ9 | - | CPA | C19 H25 N8 O9 P | c1nc(c2c(n.... |
74 | 3DJO | Ki = 40.8 uM | U2P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
75 | 1N3Z | - | U3P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
76 | 3DJV | Ki = 27.9 uM | C3P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
77 | 1R5C | - | CPA | C19 H25 N8 O9 P | c1nc(c2c(n.... |
78 | 3DJQ | Ki = 1046.4 uM | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
79 | 3DJP | Ki = 63.2 uM | UA3 | C9 H13 N2 O9 P | C1=CN(C(=O.... |
80 | 3DJX | Ki = 1557.9 uM | C5P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
81 | 11BG | - | U2G | C19 H24 N7 O13 P | c1nc2c(n1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 1Z6D | Ki = 4.6 mM | IMP | C10 H13 N4 O8 P | c1nc2c(n1[.... |
2 | 1O0H | Ki = 1.2 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
3 | 1JVU | - | C2P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
4 | 3D7B | Ki = 203 uM | U4S | C13 H19 N3 O5 | C1CCN(C1)C.... |
5 | 3FL1 | - | CGP | C19 H25 N8 O10 P | c1nc2c(n1[.... |
6 | 6PVW | Ki = 0.48 uM | OZV | C10 H16 N5 O18 P5 | c1nc(c2c(n.... |
7 | 3D6Q | Ki = 172 uM | U3S | C14 H21 N3 O5 | C1CCN(CC1).... |
8 | 3JW1 | - | U5P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
9 | 3EV6 | - | RSF | C6 H10 O3 | C1CO[C@H]2.... |
10 | 2W5I | Ki = 0.86 uM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
11 | 3D8Y | Ki = 396 uM | T3S | C15 H23 N3 O4 | CC1=CN(C(=.... |
12 | 3D6O | Ki = 77 uM | U1S | C17 H25 N3 O7 | CCOC(=O)C1.... |
13 | 3LXO | Kd = 15 uM | T3P | C10 H15 N2 O8 P | CC1=CN(C(=.... |
14 | 1O0O | Ki = 8 uM | A2P | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
15 | 1RPF | - | C3P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
16 | 3D6P | Ki = 179 uM | U2S | C13 H19 N3 O6 | C1COCCN1C[.... |
17 | 4G8V | Ki = 1.6 uM | 0EY | C12 H15 N5 O6 | c1c(nnn1[C.... |
18 | 1RNC | - | 5GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
19 | 4WYZ | Kd = 50 uM | U3P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
20 | 1ROB | - | C2P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
21 | 1W4Q | Ki = 5.5 uM | UMF | C9 H12 F N2 O8 P | C1=CN(C(=O.... |
22 | 6PVV | Ki = 1.4 uM | 5FA | C10 H18 N5 O19 P5 | c1nc(c2c(n.... |
23 | 1O0F | Ki = 5 uM | A3P | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
24 | 3EV4 | - | ETF | C2 H3 F3 O | C(C(F)(F)F.... |
25 | 1RCA | - | CGP | C19 H25 N8 O10 P | c1nc2c(n1[.... |
26 | 1RND | - | DGP | C10 H14 N5 O7 P | c1nc2c(n1[.... |
27 | 4RSK | Kd = 47.4 uM | U3P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
28 | 1RCN | - | DA DT DA DA | n/a | n/a |
29 | 6PVX | Ki = 0.068 uM | U5F | C9 H17 N2 O21 P5 | C1=CN(C(=O.... |
30 | 1RNM | - | C5P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
31 | 2W5K | Ki = 12 uM | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
32 | 2G8R | Ki = 103 uM | N3E | C15 H21 N3 O7 | C1CN(CCC1C.... |
33 | 1U1B | Kd = 16 nM | PAX | C20 H27 N7 O20 P4 | CC1=CN(C(=.... |
34 | 1QHC | Ki = 27 nM | PUA | C19 H27 N7 O20 P4 | c1nc(c2c(n.... |
35 | 3FL0 | - | CGP | C19 H25 N8 O10 P | c1nc2c(n1[.... |
36 | 4WYP | Kd = 440 uM | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
37 | 1O0M | Ki = 7.1 uM | U2P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
38 | 2QCA | - | DGP | C10 H14 N5 O7 P | c1nc2c(n1[.... |
39 | 3EV5 | - | TMO | C3 H9 N O | C[N+](C)(C.... |
40 | 4S18 | - | 1PT | C6 H14 N2 Pt | C1CC[C@@H].... |
41 | 1EOS | - | U2G | C19 H24 N7 O13 P | c1nc2c(n1[.... |
42 | 4RTE | - | CPT | Cl2 H6 N2 Pt | [NH3][Pt](.... |
43 | 6XHC | - | V2G | C12 H17 N6 O8 P | c1nc(c2c(n.... |
44 | 1W4O | Ki = 3 uM | UA3 | C9 H13 N2 O9 P | C1=CN(C(=O.... |
45 | 1RNN | - | C5P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
46 | 2XOG | Ki = 0.37 mM | SFB | C20 H28 N8 O11 S | c1nc(c2c(n.... |
47 | 6YO1 | - | UVC | C9 H12 N2 O9 V | C1=CN(C(=O.... |
48 | 1W4P | Ki = 18 uM | UM3 | C9 H13 N2 O8 P | C1[C@@H]([.... |
49 | 1AFL | Ki = 520 nM | ATR | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
50 | 3EV3 | - | TBU | C4 H10 O | CC(C)(C)O |
51 | 3RID | - | CGP | C19 H25 N8 O10 P | c1nc2c(n1[.... |
52 | 1RPG | - | CPA | C19 H25 N8 O9 P | c1nc(c2c(n.... |
53 | 1WBU | - | WBU | C4 H5 N3 O2 | C1=C(C(=O).... |
54 | 6QE9 | - | J9H | C17 H18 N3 Pt | Cc1ccc2ccc.... |
55 | 4G8Y | Ki = 25.8 uM | 0FT | C13 H17 N5 O6 | CC1=CN(C(=.... |
56 | 1JN4 | Ki = 11.3 uM | 139 | C19 H25 N7 O14 P2 | c1nc(c2c(n.... |
57 | 1O0N | Ki = 82 uM | U3P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
58 | 1AFK | Ki = 240 nM | PAP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
59 | 2XOI | Ki = 0.00046 M | SFB | C20 H28 N8 O11 S | c1nc(c2c(n.... |
60 | 1EOW | - | U2G | C19 H24 N7 O13 P | c1nc2c(n1[.... |
61 | 5OGH | - | C3P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
62 | 5NA9 | - | QPT | C6 H12 N2 O4 Pt | C1CC2(C1)C.... |
63 | 1F0V | - | DC DG | n/a | n/a |
64 | 2W5L | Ki = 63 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
65 | 1RUV | - | UVC | C9 H12 N2 O9 V | C1=CN(C(=O.... |
66 | 1Z6S | Ki = 46 uM | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
67 | 4G90 | Ki = 30.8 uM | 0G0 | C12 H14 F N5 O6 | c1c(nnn1[C.... |
68 | 6F60 | - | DVW | C27 H31 N7 O5 Pt | CC1=CC=C2C.... |
69 | 2W5G | Ki = 0.86 uM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
70 | 3D8Z | Ki = 423 uM | TXS | C14 H21 N3 O4 | CC1=CN(C(=.... |
71 | 5JLG | - | RU | Ru | [Ru+3] |
72 | 11BA | - | UPA | C19 H24 N7 O12 P | c1nc(c2c(n.... |
73 | 1TQ9 | - | CPA | C19 H25 N8 O9 P | c1nc(c2c(n.... |
74 | 3DJO | Ki = 40.8 uM | U2P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
75 | 1N3Z | - | U3P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
76 | 3DJV | Ki = 27.9 uM | C3P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
77 | 1R5C | - | CPA | C19 H25 N8 O9 P | c1nc(c2c(n.... |
78 | 3DJQ | Ki = 1046.4 uM | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
79 | 3DJP | Ki = 63.2 uM | UA3 | C9 H13 N2 O9 P | C1=CN(C(=O.... |
80 | 3DJX | Ki = 1557.9 uM | C5P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
81 | 11BG | - | U2G | C19 H24 N7 O13 P | c1nc2c(n1[.... |
82 | 5ARK | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
83 | 2RNF | - | UM3 | C9 H13 N2 O8 P | C1[C@@H]([.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | UDP | 1 | 1 |
2 | UTP | 0.892308 | 1 |
3 | U5F | 0.878788 | 1 |
4 | UNP | 0.8 | 0.970149 |
5 | U5P | 0.78125 | 0.984615 |
6 | U | 0.78125 | 0.984615 |
7 | UPU | 0.72973 | 0.940298 |
8 | 2KH | 0.722222 | 0.970149 |
9 | 44P | 0.720588 | 0.955882 |
10 | UFM | 0.717949 | 0.941176 |
11 | URM | 0.717949 | 0.927536 |
12 | 660 | 0.717949 | 0.927536 |
13 | UPG | 0.717949 | 0.941176 |
14 | GDU | 0.717949 | 0.941176 |
15 | UDP UDP | 0.714286 | 0.939394 |
16 | UDH | 0.705128 | 0.864865 |
17 | UPP | 0.705128 | 0.941176 |
18 | UFG | 0.691358 | 0.888889 |
19 | U2F | 0.691358 | 0.888889 |
20 | UPF | 0.691358 | 0.888889 |
21 | AWU | 0.6875 | 0.941176 |
22 | UAD | 0.670732 | 0.941176 |
23 | UDX | 0.670732 | 0.941176 |
24 | 3UC | 0.658824 | 0.888889 |
25 | UGA | 0.654762 | 0.955224 |
26 | UGB | 0.654762 | 0.955224 |
27 | USQ | 0.654762 | 0.820513 |
28 | G3N | 0.647059 | 0.914286 |
29 | UGF | 0.647059 | 0.901408 |
30 | UDM | 0.636364 | 0.914286 |
31 | URI | 0.625 | 0.863636 |
32 | UD1 | 0.622222 | 0.927536 |
33 | UD2 | 0.622222 | 0.927536 |
34 | UDP GAL | 0.611765 | 0.913043 |
35 | Y6W | 0.607143 | 0.888889 |
36 | CDP | 0.605263 | 0.942029 |
37 | HP7 | 0.591398 | 0.941176 |
38 | UD7 | 0.591398 | 0.927536 |
39 | MJZ | 0.585106 | 0.914286 |
40 | IUG | 0.583333 | 0.810127 |
41 | HWU | 0.578947 | 0.901408 |
42 | UD4 | 0.578947 | 0.914286 |
43 | 12V | 0.578947 | 0.901408 |
44 | F5G | 0.578947 | 0.927536 |
45 | F5P | 0.578947 | 0.914286 |
46 | CJB | 0.573529 | 0.820895 |
47 | UDZ | 0.571429 | 0.853333 |
48 | DUD | 0.571429 | 0.913043 |
49 | UP5 | 0.571429 | 0.853333 |
50 | EPZ | 0.56 | 0.914286 |
51 | 5GW | 0.559524 | 0.942029 |
52 | EEB | 0.554455 | 0.901408 |
53 | EPU | 0.554455 | 0.901408 |
54 | UA3 | 0.547945 | 0.939394 |
55 | U3P | 0.547945 | 0.939394 |
56 | 4TC | 0.544554 | 0.831169 |
57 | HF4 | 0.54321 | 0.942029 |
58 | CTP | 0.54321 | 0.942029 |
59 | BUP | 0.536585 | 0.928571 |
60 | CSV | 0.531915 | 0.851351 |
61 | CSQ | 0.531915 | 0.851351 |
62 | DUT | 0.52439 | 0.913043 |
63 | 4GW | 0.516484 | 0.915493 |
64 | UMA | 0.513761 | 0.914286 |
65 | U4S | 0.513158 | 0.753425 |
66 | U2P | 0.506667 | 0.954545 |
67 | U3S | 0.5 | 0.753425 |
68 | U2S | 0.5 | 0.767123 |
69 | FZK | 0.494253 | 0.777778 |
70 | PUP | 0.48913 | 0.913043 |
71 | U21 | 0.486957 | 0.810127 |
72 | U20 | 0.486957 | 0.810127 |
73 | U22 | 0.486957 | 0.790123 |
74 | DKX | 0.486486 | 0.746479 |
75 | U1S | 0.482759 | 0.75 |
76 | 0RC | 0.482759 | 0.864865 |
77 | 2QR | 0.478632 | 0.822785 |
78 | 5FU | 0.474359 | 0.914286 |
79 | LSU | 0.472527 | 0.738095 |
80 | 8OD | 0.47191 | 0.851351 |
81 | C5G | 0.468085 | 0.888889 |
82 | 7XL | 0.465909 | 0.888889 |
83 | UMF | 0.461538 | 0.857143 |
84 | G8D | 0.460674 | 0.855263 |
85 | 2TM | 0.45977 | 0.902778 |
86 | UTP U U U | 0.456522 | 0.895522 |
87 | YSU | 0.453608 | 0.746988 |
88 | 2TU | 0.452055 | 0.774648 |
89 | 4RA | 0.451613 | 0.855263 |
90 | C2G | 0.450549 | 0.901408 |
91 | DU | 0.45 | 0.898551 |
92 | CAR | 0.45 | 0.927536 |
93 | UMP | 0.45 | 0.898551 |
94 | C5P | 0.45 | 0.927536 |
95 | C | 0.45 | 0.927536 |
96 | UAG | 0.448 | 0.864865 |
97 | CDC | 0.446809 | 0.777778 |
98 | 5BU | 0.444444 | 0.914286 |
99 | UD0 | 0.444444 | 0.844156 |
100 | N3E | 0.440476 | 0.733333 |
101 | UC5 | 0.440476 | 0.9 |
102 | UUA | 0.438356 | 0.772727 |
103 | DUP | 0.431818 | 0.887324 |
104 | 2GW | 0.431373 | 0.901408 |
105 | M7G | 0.430108 | 0.780488 |
106 | CNU | 0.428571 | 0.927536 |
107 | CDM | 0.427083 | 0.842105 |
108 | H6Y | 0.425532 | 0.851351 |
109 | 16B | 0.421687 | 0.888889 |
110 | S5P | 0.419753 | 0.915493 |
111 | 8GT | 0.419355 | 0.855263 |
112 | CDP MG | 0.418605 | 0.885714 |
113 | CXY | 0.418367 | 0.888889 |
114 | UPA | 0.418182 | 0.842105 |
115 | U2G | 0.410714 | 0.822785 |
116 | UML | 0.408759 | 0.810127 |
117 | UP6 | 0.407407 | 0.871429 |
118 | M7M | 0.40625 | 0.771084 |
119 | 1GW | 0.40367 | 0.864865 |
120 | BMP | 0.402439 | 0.970149 |
121 | APU | 0.401786 | 0.828947 |
122 | PMP UD1 | 0.401575 | 0.7875 |
123 | DUT MG | 0.4 | 0.857143 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | YYY | 0.9739 |
2 | TYD | 0.9699 |
3 | TBD | 0.9623 |
4 | GCQ | 0.9509 |
5 | ADP | 0.9410 |
6 | DUN | 0.9317 |
7 | D4D | 0.9237 |
8 | ADX | 0.9224 |
9 | AU1 | 0.9218 |
10 | AP2 | 0.9215 |
11 | SON | 0.9211 |
12 | GDP | 0.9193 |
13 | DAT | 0.9189 |
14 | IDP | 0.9155 |
15 | PRX | 0.9148 |
16 | ADP MG | 0.9122 |
17 | BEF ADP | 0.9122 |
18 | AN2 | 0.9115 |
19 | A12 | 0.9102 |
20 | M33 | 0.9098 |
21 | CA0 | 0.9083 |
22 | G5A | 0.9077 |
23 | CUU | 0.9055 |
24 | GAP | 0.8984 |
25 | DGI | 0.8977 |
26 | GNH | 0.8961 |
27 | FZQ | 0.8919 |
28 | 7D3 | 0.8915 |
29 | DAL AMP | 0.8905 |
30 | H2U | 0.8888 |
31 | CH | 0.8874 |
32 | AZD | 0.8849 |
33 | PSU | 0.8815 |
34 | CK7 | 0.8802 |
35 | AMP | 0.8793 |
36 | FN5 | 0.8781 |
37 | 6AD | 0.8757 |
38 | A5A | 0.8754 |
39 | HQ5 | 0.8747 |
40 | DCM | 0.8724 |
41 | 8LH | 0.8718 |
42 | 8GD | 0.8708 |
43 | ATY | 0.8691 |
44 | BMQ | 0.8679 |
45 | U6M | 0.8672 |
46 | NUP | 0.8671 |
47 | DC | 0.8658 |
48 | DCP | 0.8657 |
49 | TMP | 0.8642 |
50 | C8M | 0.8633 |
51 | TTP | 0.8581 |
52 | ATP | 0.8570 |
53 | DDN | 0.8568 |
54 | C2R | 0.8549 |
55 | D4T | 0.8531 |
This union binding pocket(no: 1) in the query (biounit: 3djv.bio1) has 50 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2GMK | AMP | 32.6923 |
This union binding pocket(no: 2) in the query (biounit: 3djv.bio1) has 52 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2GMK | AMP | 32.6923 |