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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 20 families. | |||||
1 | 1JUV | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 12 families. | |||||
1 | 1JUV | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NDP | 1 | 1 |
2 | 0WD | 0.827273 | 1 |
3 | NAI | 0.803738 | 0.986842 |
4 | NMN AMP PO4 | 0.794643 | 0.948052 |
5 | NPW | 0.692308 | 0.962025 |
6 | NZQ | 0.686441 | 0.987013 |
7 | DG1 | 0.68 | 1 |
8 | 1DG | 0.68 | 1 |
9 | A2R | 0.650943 | 0.909091 |
10 | A22 | 0.64486 | 0.934211 |
11 | TXP | 0.644628 | 0.924051 |
12 | ATR | 0.640777 | 0.894737 |
13 | NA7 | 0.636364 | 0.886076 |
14 | AP0 | 0.598361 | 0.948718 |
15 | A2P | 0.598039 | 0.881579 |
16 | NJP | 0.574803 | 0.923077 |
17 | 25L | 0.550847 | 0.934211 |
18 | ODP | 0.550388 | 0.936709 |
19 | NAX | 0.544 | 0.949367 |
20 | 25A | 0.53913 | 0.921053 |
21 | 2AM | 0.529412 | 0.87013 |
22 | NAP | 0.514493 | 0.922078 |
23 | EAD | 0.507143 | 0.949367 |
24 | A2D | 0.504673 | 0.921053 |
25 | NA0 | 0.496454 | 0.910256 |
26 | TXD | 0.496124 | 0.911392 |
27 | AGS | 0.495575 | 0.875 |
28 | SAP | 0.495575 | 0.875 |
29 | P1H | 0.493056 | 0.925926 |
30 | CO7 | 0.489796 | 0.791209 |
31 | TAP | 0.489362 | 0.864198 |
32 | PAP | 0.482456 | 0.907895 |
33 | BA3 | 0.481818 | 0.921053 |
34 | NAJ PZO | 0.478261 | 0.924051 |
35 | ATP | 0.477876 | 0.921053 |
36 | B4P | 0.477477 | 0.921053 |
37 | AP5 | 0.477477 | 0.921053 |
38 | ADP | 0.477477 | 0.921053 |
39 | OAD | 0.47541 | 0.897436 |
40 | 5FA | 0.473684 | 0.921053 |
41 | APR | 0.473684 | 0.896104 |
42 | AQP | 0.473684 | 0.921053 |
43 | AR6 | 0.473684 | 0.896104 |
44 | 3OD | 0.467742 | 0.897436 |
45 | 50T | 0.464912 | 0.884615 |
46 | PO4 PO4 A A A A PO4 | 0.463415 | 0.857143 |
47 | V3L | 0.461538 | 0.896104 |
48 | 2A5 | 0.46087 | 0.85 |
49 | 4AD | 0.459016 | 0.875 |
50 | ADQ | 0.459016 | 0.897436 |
51 | A1R | 0.459016 | 0.841463 |
52 | OVE | 0.458716 | 0.8375 |
53 | PPS | 0.457627 | 0.811765 |
54 | AD9 | 0.456897 | 0.897436 |
55 | M33 | 0.45614 | 0.884615 |
56 | CA0 | 0.45614 | 0.897436 |
57 | ADJ | 0.455882 | 0.879518 |
58 | A3P | 0.455357 | 0.894737 |
59 | ACP | 0.452174 | 0.897436 |
60 | ENP | 0.451613 | 0.85 |
61 | UP5 | 0.451128 | 0.948052 |
62 | SRP | 0.45 | 0.8625 |
63 | ANP | 0.449153 | 0.897436 |
64 | ACQ | 0.449153 | 0.897436 |
65 | PRX | 0.448276 | 0.82716 |
66 | 5AL | 0.445378 | 0.884615 |
67 | ADX | 0.443478 | 0.811765 |
68 | A | 0.436364 | 0.894737 |
69 | AMP | 0.436364 | 0.894737 |
70 | 4TC | 0.433824 | 0.924051 |
71 | DCA | 0.433566 | 0.788889 |
72 | ETB | 0.433566 | 0.797753 |
73 | BIS | 0.433071 | 0.864198 |
74 | 1ZZ | 0.433071 | 0.802326 |
75 | 00A | 0.432 | 0.864198 |
76 | ATF | 0.429752 | 0.886076 |
77 | 3AM | 0.427273 | 0.857143 |
78 | N01 | 0.426573 | 0.884615 |
79 | LAD | 0.425197 | 0.821429 |
80 | PR8 | 0.425197 | 0.811765 |
81 | DTP | 0.425 | 0.8375 |
82 | AMO | 0.424 | 0.886076 |
83 | PAJ | 0.424 | 0.843373 |
84 | APC | 0.423729 | 0.886076 |
85 | UPA | 0.423358 | 0.935897 |
86 | PTJ | 0.421875 | 0.853659 |
87 | FYA | 0.421875 | 0.860759 |
88 | CNA | 0.421429 | 0.910256 |
89 | PUA | 0.42069 | 0.9125 |
90 | NXX | 0.419118 | 0.910256 |
91 | DND | 0.419118 | 0.910256 |
92 | AV2 | 0.418033 | 0.848101 |
93 | COA | 0.417808 | 0.788889 |
94 | DAT | 0.415254 | 0.8375 |
95 | NDO | 0.414966 | 0.897436 |
96 | 139 | 0.414286 | 0.901235 |
97 | TAT | 0.413223 | 0.886076 |
98 | 3AT | 0.413223 | 0.896104 |
99 | YLB | 0.413043 | 0.784091 |
100 | ABM | 0.412281 | 0.848101 |
101 | YAP | 0.412214 | 0.875 |
102 | YLP | 0.411765 | 0.784091 |
103 | ME8 | 0.410853 | 0.802326 |
104 | NB8 | 0.410853 | 0.853659 |
105 | SON | 0.410256 | 0.886076 |
106 | AHX | 0.409449 | 0.853659 |
107 | DLL | 0.409449 | 0.909091 |
108 | CAO | 0.409396 | 0.763441 |
109 | COS | 0.409396 | 0.771739 |
110 | 30N | 0.409396 | 0.72449 |
111 | AMX | 0.409396 | 0.797753 |
112 | APX | 0.407692 | 0.841463 |
113 | SRA | 0.40708 | 0.85 |
114 | CMX | 0.406667 | 0.788889 |
115 | SCO | 0.406667 | 0.788889 |
116 | TYM | 0.405797 | 0.886076 |
117 | COD | 0.405594 | 0.777778 |
118 | OXK | 0.405229 | 0.771739 |
119 | CA6 | 0.405229 | 0.70297 |
120 | AP2 | 0.405172 | 0.886076 |
121 | A12 | 0.405172 | 0.886076 |
122 | LAQ | 0.404412 | 0.802326 |
123 | T5A | 0.404255 | 0.914634 |
124 | FAM | 0.403974 | 0.771739 |
125 | FCX | 0.403974 | 0.763441 |
126 | ACO | 0.403974 | 0.763441 |
127 | AMP MG | 0.403509 | 0.825 |
128 | ADP VO4 | 0.403226 | 0.860759 |
129 | YLC | 0.402878 | 0.823529 |
130 | 1VU | 0.402597 | 0.763441 |
131 | FA5 | 0.401515 | 0.886076 |
132 | HAX | 0.401316 | 0.771739 |
133 | CAJ | 0.4 | 0.771739 |
134 | AR6 AR6 | 0.4 | 0.871795 |
135 | APU | 0.4 | 0.923077 |
136 | AFH | 0.4 | 0.843373 |
137 | A U | 0.4 | 0.898734 |
138 | TXA | 0.4 | 0.886076 |
This union binding pocket(no: 1) in the query (biounit: 1juv.bio1) has 28 residues | ||||
---|---|---|---|---|
No: | Leader PDB | Ligand | P-value (APoc) | PS_Score (APoc) |
1 | 4EIL | NDP | 0.000000001936 | 0.6361 |
2 | 4EIL | NDP | 0.000000002182 | 0.63413 |
3 | 4EIL | NDP | 0.00000000219 | 0.63408 |
4 | 4EIL | NDP | 0.000000002461 | 0.63216 |
5 | 3NRR | NAP | 0.00000003776 | 0.49009 |
6 | 3NRR | D16 | 0.00000006292 | 0.46538 |
7 | 2HHP | FLC | 0.0148 | 0.45525 |
8 | 2AWN | ADP | 0.01038 | 0.43808 |
9 | 2AWN | ADP | 0.01231 | 0.43069 |
10 | 4HA9 | NDP | 0.0002743 | 0.4305 |
11 | 2X1L | ADN | 0.005029 | 0.42943 |
12 | 2W58 | ADP | 0.02286 | 0.4249 |
13 | 4UBS | DIF | 0.0166 | 0.42253 |
14 | 1R6N | 434 | 0.01989 | 0.42156 |
15 | 2ACV | UDP | 0.008328 | 0.41898 |
16 | 3TDC | 0EU | 0.02562 | 0.41607 |
17 | 2J5V | PCA | 0.03961 | 0.41573 |
18 | 3B6C | SDN | 0.02192 | 0.41418 |
19 | 3ITJ | CIT | 0.04653 | 0.41393 |
20 | 2NUN | ADP | 0.02004 | 0.41198 |
21 | 2QV7 | ADP | 0.01025 | 0.41102 |
22 | 2QV7 | ADP | 0.01025 | 0.41102 |
23 | 4OH4 | ANP | 0.007721 | 0.40978 |
24 | 3NHB | ADP | 0.03039 | 0.40908 |
25 | 4BGB | ADP | 0.02111 | 0.40686 |
26 | 3WMX | THR | 0.03328 | 0.40631 |
27 | 3Q3H | UDP | 0.03116 | 0.40606 |
28 | 1G6H | ADP | 0.04422 | 0.40602 |
29 | 2EB5 | OXL | 0.03781 | 0.4054 |
30 | 2IYF | UDP | 0.0271 | 0.40521 |
31 | 1YXM | ADE | 0.03697 | 0.40358 |
32 | 3EF2 | FUC GLA GLA | 0.04103 | 0.40346 |
33 | 1I1E | DM2 | 0.03502 | 0.40336 |
34 | 3EF2 | FUC GLA GLA | 0.04222 | 0.40272 |
35 | 4P6G | 2FZ | 0.02554 | 0.40268 |
36 | 2ZL4 | ALA ALA ALA ALA | 0.03919 | 0.40206 |
37 | 2GN2 | C5P | 0.03722 | 0.40148 |
38 | 2JCB | ADP | 0.02873 | 0.4001 |