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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 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 | 139 | 1 | 1 |
2 | PUA | 0.731092 | 0.962025 |
3 | UP5 | 0.678261 | 0.948718 |
4 | UPA | 0.652542 | 0.961538 |
5 | 4TC | 0.652542 | 0.925 |
6 | A2D | 0.61 | 0.897436 |
7 | ADQ | 0.603604 | 0.898734 |
8 | BA3 | 0.598039 | 0.897436 |
9 | AGS | 0.59434 | 0.831325 |
10 | B4P | 0.592233 | 0.897436 |
11 | AP5 | 0.592233 | 0.897436 |
12 | ADP | 0.592233 | 0.873418 |
13 | ATP | 0.590476 | 0.873418 |
14 | HEJ | 0.590476 | 0.873418 |
15 | 5FA | 0.584906 | 0.873418 |
16 | AQP | 0.584906 | 0.873418 |
17 | AD9 | 0.579439 | 0.851852 |
18 | HQG | 0.576577 | 0.8625 |
19 | A3R | 0.575221 | 0.9125 |
20 | AN2 | 0.571429 | 0.8625 |
21 | AT4 | 0.571429 | 0.841463 |
22 | T5A | 0.571429 | 0.939024 |
23 | APR | 0.570093 | 0.873418 |
24 | AR6 | 0.570093 | 0.873418 |
25 | M33 | 0.566038 | 0.8625 |
26 | ACP | 0.560748 | 0.851852 |
27 | ATF | 0.558559 | 0.841463 |
28 | A22 | 0.557522 | 0.886076 |
29 | PRX | 0.555556 | 0.829268 |
30 | ANP | 0.554545 | 0.851852 |
31 | ACQ | 0.554545 | 0.851852 |
32 | ADX | 0.551402 | 0.793103 |
33 | AMP | 0.54902 | 0.848101 |
34 | A | 0.54902 | 0.848101 |
35 | A1R | 0.547826 | 0.9125 |
36 | A4P | 0.543307 | 0.872093 |
37 | G3A | 0.540984 | 0.855422 |
38 | 6YZ | 0.539823 | 0.851852 |
39 | CA0 | 0.537037 | 0.875 |
40 | G5P | 0.536585 | 0.855422 |
41 | KG4 | 0.53211 | 0.875 |
42 | 50T | 0.53211 | 0.839506 |
43 | APU | 0.53125 | 0.924051 |
44 | JNT | 0.529915 | 0.898734 |
45 | 3OD | 0.529412 | 0.875 |
46 | OAD | 0.525424 | 0.875 |
47 | 9X8 | 0.525424 | 0.831325 |
48 | 25L | 0.525 | 0.886076 |
49 | AFH | 0.524194 | 0.845238 |
50 | GTA | 0.52 | 0.825581 |
51 | 45A | 0.518868 | 0.82716 |
52 | ABM | 0.518868 | 0.82716 |
53 | BEF ADP | 0.517857 | 0.82716 |
54 | BIS | 0.516667 | 0.821429 |
55 | SRA | 0.514286 | 0.807229 |
56 | AMP MG | 0.514286 | 0.835443 |
57 | ADP BEF | 0.513761 | 0.848101 |
58 | ADP MG | 0.513761 | 0.848101 |
59 | APC | 0.513514 | 0.864198 |
60 | T99 | 0.513274 | 0.841463 |
61 | TAT | 0.513274 | 0.841463 |
62 | 8LH | 0.513043 | 0.864198 |
63 | 5SV | 0.512821 | 0.811765 |
64 | 25A | 0.512821 | 0.873418 |
65 | A12 | 0.509259 | 0.864198 |
66 | AP2 | 0.509259 | 0.864198 |
67 | 5AL | 0.508772 | 0.8625 |
68 | 8LE | 0.508772 | 0.831325 |
69 | 4AD | 0.508475 | 0.876543 |
70 | 4UV | 0.508065 | 0.876543 |
71 | DND | 0.507812 | 0.8875 |
72 | 8LQ | 0.504274 | 0.841463 |
73 | 1ZZ | 0.504132 | 0.825581 |
74 | TXE | 0.503876 | 0.936709 |
75 | SRP | 0.5 | 0.8875 |
76 | 4UU | 0.5 | 0.876543 |
77 | OZV | 0.5 | 0.873418 |
78 | 4TA | 0.5 | 0.903614 |
79 | 6V0 | 0.496124 | 0.901235 |
80 | NAI | 0.496124 | 0.9125 |
81 | WAQ | 0.495868 | 0.865854 |
82 | PR8 | 0.495868 | 0.879518 |
83 | ADP PO3 | 0.495575 | 0.848101 |
84 | ATP MG | 0.495575 | 0.848101 |
85 | AU1 | 0.495495 | 0.851852 |
86 | KMQ | 0.491935 | 0.864198 |
87 | FYA | 0.491803 | 0.886076 |
88 | 00A | 0.491667 | 0.843373 |
89 | DLL | 0.491667 | 0.886076 |
90 | AHX | 0.491667 | 0.878049 |
91 | QA7 | 0.491525 | 0.831325 |
92 | VO4 ADP | 0.491379 | 0.829268 |
93 | ANP MG | 0.491379 | 0.839506 |
94 | L3W | 0.48855 | 0.911392 |
95 | AP0 | 0.48855 | 0.878049 |
96 | ADP BMA | 0.487603 | 0.875 |
97 | 3UK | 0.487603 | 0.875 |
98 | 8QN | 0.487395 | 0.8625 |
99 | OOB | 0.487395 | 0.886076 |
100 | DU DU DU DU BRU DA DU | 0.486667 | 0.870588 |
101 | TXD | 0.484615 | 0.9125 |
102 | 4UW | 0.484615 | 0.845238 |
103 | NAX | 0.484615 | 0.902439 |
104 | DQV | 0.484375 | 0.910256 |
105 | PAJ | 0.483333 | 0.845238 |
106 | AMO | 0.483333 | 0.8875 |
107 | ADV | 0.482456 | 0.864198 |
108 | RBY | 0.482456 | 0.864198 |
109 | APC MG | 0.482456 | 0.85 |
110 | OMR | 0.480916 | 0.837209 |
111 | FA5 | 0.48 | 0.8875 |
112 | ME8 | 0.479675 | 0.804598 |
113 | PTJ | 0.479675 | 0.811765 |
114 | MAP | 0.478992 | 0.831325 |
115 | Z5A | 0.478873 | 0.872093 |
116 | ALF ADP | 0.478632 | 0.788235 |
117 | NAD | 0.477941 | 0.886076 |
118 | CPA | 0.477273 | 0.925926 |
119 | 48N | 0.476923 | 0.833333 |
120 | UM3 | 0.475728 | 0.810127 |
121 | GAP | 0.474138 | 0.851852 |
122 | CNA | 0.474074 | 0.911392 |
123 | SON | 0.473214 | 0.864198 |
124 | LAD | 0.471545 | 0.86747 |
125 | B5V | 0.471545 | 0.864198 |
126 | 80F | 0.471014 | 0.870588 |
127 | A3D | 0.471014 | 0.875 |
128 | V2G | 0.470085 | 0.855422 |
129 | B5Y | 0.468254 | 0.853659 |
130 | TXA | 0.467742 | 0.864198 |
131 | NB8 | 0.467742 | 0.855422 |
132 | ADJ | 0.466667 | 0.880952 |
133 | DAL AMP | 0.466667 | 0.839506 |
134 | XAH | 0.464567 | 0.847059 |
135 | 5AS | 0.464286 | 0.75 |
136 | LMS | 0.462963 | 0.752809 |
137 | FAD | 0.460526 | 0.858824 |
138 | FAS | 0.460526 | 0.858824 |
139 | 9SN | 0.460317 | 0.833333 |
140 | TYM | 0.458647 | 0.8875 |
141 | PAX | 0.458333 | 0.903614 |
142 | A2R | 0.458333 | 0.8625 |
143 | LAQ | 0.458015 | 0.825581 |
144 | PAP | 0.456897 | 0.860759 |
145 | ATR | 0.456897 | 0.848101 |
146 | B5M | 0.456693 | 0.853659 |
147 | ITT | 0.45614 | 0.825 |
148 | GA7 | 0.453846 | 0.864198 |
149 | MYR AMP | 0.452381 | 0.804598 |
150 | NA7 | 0.451613 | 0.8875 |
151 | SFD | 0.45098 | 0.744898 |
152 | 9ZA | 0.45082 | 0.821429 |
153 | 9ZD | 0.45082 | 0.821429 |
154 | F2R | 0.449275 | 0.827586 |
155 | IOT | 0.448529 | 0.83908 |
156 | 2A5 | 0.448276 | 0.851852 |
157 | 6FA | 0.447368 | 0.848837 |
158 | XYA | 0.445545 | 0.782051 |
159 | RAB | 0.445545 | 0.782051 |
160 | ADN | 0.445545 | 0.782051 |
161 | ATP A A A | 0.445312 | 0.860759 |
162 | ATP A | 0.445312 | 0.860759 |
163 | SFB | 0.444444 | 0.822222 |
164 | NAQ | 0.444444 | 0.833333 |
165 | NAD IBO | 0.444444 | 0.873418 |
166 | NAD TDB | 0.444444 | 0.873418 |
167 | YLP | 0.443609 | 0.848837 |
168 | 7D4 | 0.443478 | 0.839506 |
169 | BT5 | 0.442857 | 0.83908 |
170 | 8X1 | 0.442623 | 0.744681 |
171 | 38V | 0.441379 | 0.847059 |
172 | FDA | 0.440789 | 0.862069 |
173 | NJP | 0.438849 | 0.876543 |
174 | DUT | 0.438596 | 0.8125 |
175 | U2G | 0.437956 | 0.891566 |
176 | NAE | 0.4375 | 0.853659 |
177 | FAY | 0.436709 | 0.869048 |
178 | P5A | 0.436508 | 0.774194 |
179 | BTX | 0.435714 | 0.848837 |
180 | COD | 0.435714 | 0.840909 |
181 | EAD | 0.435374 | 0.902439 |
182 | RFL | 0.433962 | 0.829545 |
183 | YLB | 0.433824 | 0.848837 |
184 | 7D3 | 0.433628 | 0.839506 |
185 | P1H | 0.433333 | 0.880952 |
186 | NDE | 0.433333 | 0.864198 |
187 | PPS | 0.433333 | 0.772727 |
188 | ARG AMP | 0.431818 | 0.795455 |
189 | ZID | 0.431507 | 0.875 |
190 | A3P | 0.429825 | 0.848101 |
191 | AOC | 0.428571 | 0.7625 |
192 | DUD | 0.428571 | 0.8125 |
193 | HFD | 0.428571 | 0.831325 |
194 | ODP | 0.428571 | 0.890244 |
195 | JSQ | 0.428571 | 0.831325 |
196 | NDC | 0.427632 | 0.878049 |
197 | 3AM | 0.427273 | 0.835443 |
198 | NAJ PZO | 0.426573 | 0.855422 |
199 | AMP NAD | 0.425532 | 0.8625 |
200 | 0WD | 0.425532 | 0.901235 |
201 | DTP | 0.425 | 0.8625 |
202 | 3AT | 0.425 | 0.85 |
203 | YLC | 0.423358 | 0.869048 |
204 | JB6 | 0.421875 | 0.843373 |
205 | 6AD | 0.421488 | 0.802326 |
206 | AYB | 0.421429 | 0.83908 |
207 | FNK | 0.421384 | 0.853933 |
208 | 62F | 0.421384 | 0.869048 |
209 | AR6 AR6 | 0.421053 | 0.85 |
210 | YLY | 0.42069 | 0.83908 |
211 | GDD | 0.419847 | 0.845238 |
212 | GDC | 0.419847 | 0.845238 |
213 | GKE | 0.419847 | 0.845238 |
214 | AV2 | 0.418033 | 0.804878 |
215 | TAD | 0.41791 | 0.845238 |
216 | D4F | 0.417808 | 0.825581 |
217 | A2P | 0.417391 | 0.835443 |
218 | LEU LMS | 0.417323 | 0.705263 |
219 | AMP DBH | 0.416667 | 0.829268 |
220 | G5A | 0.416667 | 0.769231 |
221 | AF3 ADP 3PG | 0.416058 | 0.781609 |
222 | AVV | 0.416 | 0.855422 |
223 | DAT | 0.415254 | 0.8625 |
224 | CUU | 0.415254 | 0.85 |
225 | AHZ | 0.414815 | 0.764045 |
226 | NDP | 0.414286 | 0.901235 |
227 | 3PD UM3 | 0.414286 | 0.869048 |
228 | YLA | 0.414286 | 0.870588 |
229 | FAJ | 0.414201 | 0.860465 |
230 | MTA | 0.412844 | 0.698795 |
231 | NSS | 0.412698 | 0.769231 |
232 | DZD | 0.412587 | 0.890244 |
233 | N0B | 0.412162 | 0.892857 |
234 | LPA AMP | 0.411765 | 0.804598 |
235 | VMS | 0.41129 | 0.73913 |
236 | 54H | 0.41129 | 0.73913 |
237 | FA9 | 0.410714 | 0.870588 |
238 | 7MD | 0.410448 | 0.869048 |
239 | 5N5 | 0.409524 | 0.759494 |
240 | NVA LMS | 0.409449 | 0.726316 |
241 | ARU | 0.409449 | 0.761364 |
242 | FB0 | 0.409091 | 0.833333 |
243 | 7D5 | 0.409091 | 0.814815 |
244 | DU | 0.409091 | 0.8 |
245 | UMP | 0.409091 | 0.8 |
246 | TSB | 0.408 | 0.766667 |
247 | A5A | 0.406504 | 0.755556 |
248 | GDU | 0.406504 | 0.835443 |
249 | UFM | 0.406504 | 0.835443 |
250 | UPG | 0.406504 | 0.835443 |
251 | 9JJ | 0.406061 | 0.825581 |
252 | ALF ADP 3PG | 0.405797 | 0.781609 |
253 | 5CD | 0.40566 | 0.725 |
254 | A4D | 0.40566 | 0.759494 |
255 | 3DH | 0.405405 | 0.698795 |
256 | NAJ PYZ | 0.405405 | 0.816092 |
257 | NPW | 0.404255 | 0.891566 |
258 | H1Q | 0.403361 | 0.814815 |
259 | SSA | 0.403226 | 0.788889 |
260 | NAP | 0.402685 | 0.875 |
261 | DSZ | 0.401575 | 0.769231 |
262 | TXP | 0.401408 | 0.901235 |
263 | NZQ | 0.401408 | 0.890244 |
264 | M24 | 0.401361 | 0.813953 |
265 | 52H | 0.4 | 0.731183 |
266 | NO7 | 0.4 | 0.864198 |
267 | TAP | 0.4 | 0.821429 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 1u1b.bio2) has 86 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1u1b.bio1) has 79 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2GMK | AMP | 40.3846 |