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- Structure Biounit | Ligand Information
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- Class : .ZIP | .CSV
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | A2G GAL | 1 | 1 |
2 | NAG FUC | 0.728814 | 0.956522 |
3 | A2G NAG | 0.716667 | 0.9375 |
4 | NAG BDP | 0.68254 | 0.916667 |
5 | A2G GAL NAG | 0.681159 | 0.9375 |
6 | MGC GAL | 0.666667 | 0.957447 |
7 | NAG GAL FUC | 0.661765 | 0.978261 |
8 | NAG GAL | 0.639344 | 1 |
9 | 1GN ACY GAL 1GN BGC ACY GAL BGC | 0.628205 | 0.9375 |
10 | NAG GC4 | 0.617647 | 0.916667 |
11 | NAG FUC GAL | 0.608696 | 0.978261 |
12 | NAG GAL GLC NAG GLC RAM | 0.584416 | 0.9375 |
13 | BGC GAL NGA GAL | 0.583333 | 1 |
14 | NAG BDP NAG BDP NAG BDP NAG | 0.582278 | 0.9 |
15 | NAG GAL GAL | 0.57971 | 1 |
16 | NAG GAD | 0.577465 | 0.88 |
17 | A2G SER GAL | 0.569444 | 0.882353 |
18 | BGC GAL NAG GAL | 0.567568 | 1 |
19 | TVD GAL | 0.5625 | 0.918367 |
20 | GAL NAG GAL | 0.555556 | 1 |
21 | A2G MBN GAL | 0.554054 | 0.957447 |
22 | A2G THR GAL | 0.540541 | 0.882353 |
23 | AMU | 0.539683 | 0.87234 |
24 | BGC GAL GLA NGA GAL | 0.538462 | 1 |
25 | NAG BMA | 0.537313 | 0.897959 |
26 | GAL A2G MBN | 0.533333 | 0.9375 |
27 | GAL GLA | 0.525424 | 0.733333 |
28 | NDG GLA NAG GLC RAM | 0.521739 | 0.918367 |
29 | NDG NAG GLA NAG GLC RAM | 0.521739 | 0.918367 |
30 | MAN NAG GAL | 0.520548 | 1 |
31 | GAL NAG GAL NAG GAL | 0.519481 | 0.9375 |
32 | NAG GAL NAG GAL | 0.519481 | 0.9375 |
33 | NAG GAL NAG GAL NAG GAL | 0.519481 | 0.918367 |
34 | LOG GAL | 0.514286 | 0.803571 |
35 | NAG GAL BGC GAL | 0.513158 | 1 |
36 | A2G NPO GAL | 0.512821 | 0.714286 |
37 | GAL NAG FUC GAL | 0.5 | 0.978261 |
38 | NAG BDP NAG BDP | 0.494382 | 0.849057 |
39 | NAG GAL FUC GLA | 0.493827 | 0.978261 |
40 | NDG FUC GAL FUC | 0.493506 | 0.957447 |
41 | NAG GAL FUC FUC | 0.493506 | 0.957447 |
42 | GAL NGA A2G | 0.493151 | 0.9375 |
43 | NDG | 0.491228 | 0.888889 |
44 | BM3 | 0.491228 | 0.888889 |
45 | NAG | 0.491228 | 0.888889 |
46 | A2G | 0.491228 | 0.888889 |
47 | NGA | 0.491228 | 0.888889 |
48 | HSQ | 0.491228 | 0.888889 |
49 | BMA MAN NAG | 0.486842 | 1 |
50 | NOK GAL | 0.486111 | 0.8 |
51 | GLC BGC BGC BGC | 0.484375 | 0.733333 |
52 | BGC BGC BGC BGC BGC | 0.484375 | 0.733333 |
53 | BGC BGC BGC BGC BGC BGC BGC | 0.484375 | 0.733333 |
54 | BGC BGC BGC | 0.484375 | 0.733333 |
55 | BGC BGC BGC BGC BGC BGC | 0.484375 | 0.733333 |
56 | AHR FUB | 0.482143 | 0.638298 |
57 | GAL FUC GAL | 0.478261 | 0.755556 |
58 | A2G GAL SIA | 0.478261 | 0.865385 |
59 | NDG GLA GLC NAG GLC RAM | 0.474227 | 0.918367 |
60 | NAG G6S | 0.473684 | 0.725806 |
61 | BQZ | 0.473684 | 0.666667 |
62 | NAG BDP NAG BDP NAG BDP | 0.473118 | 0.865385 |
63 | GDL NAG | 0.471429 | 0.9375 |
64 | FUC GAL | 0.46875 | 0.733333 |
65 | NAG NAG BMA | 0.468354 | 0.865385 |
66 | GAL FUC A2G | 0.467532 | 0.978261 |
67 | BGC GAL NGA | 0.466667 | 1 |
68 | MAN NAG | 0.463768 | 1 |
69 | GLA NAG GAL FUC | 0.463415 | 0.978261 |
70 | GCU BGC | 0.462687 | 0.717391 |
71 | NAG GAL NAG | 0.461538 | 0.9375 |
72 | BGC GAL NAG | 0.461538 | 1 |
73 | GLC U8V | 0.461538 | 0.76087 |
74 | MBG GAL | 0.460317 | 0.73913 |
75 | NAG BMA MAN MAN MAN MAN | 0.45977 | 1 |
76 | MBG GLA | 0.459016 | 0.73913 |
77 | NAG GAL FUC A2G | 0.454545 | 0.978261 |
78 | MAG | 0.451613 | 0.893617 |
79 | 2F8 | 0.451613 | 0.893617 |
80 | BGC GAL GLA NGA | 0.451219 | 1 |
81 | GLC BGC FUC GAL | 0.450704 | 0.755556 |
82 | BGC FUC GAL | 0.450704 | 0.755556 |
83 | AMU NAG | 0.45 | 0.9 |
84 | MAG SGA FUC | 0.447059 | 0.714286 |
85 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.446154 | 0.733333 |
86 | MAN BMA BMA BMA BMA BMA BMA | 0.446154 | 0.733333 |
87 | GLC GLC GLC GLC BGC GLC GLC | 0.446154 | 0.733333 |
88 | NAG NAG NAG NAG NAG | 0.445946 | 0.918367 |
89 | NAG NAG NAG NAG NAG NAG | 0.445946 | 0.918367 |
90 | NDG NAG NAG NAG NAG | 0.445946 | 0.918367 |
91 | NAG NAG NAG NAG NAG NAG NAG NAG | 0.445946 | 0.918367 |
92 | NAG NAG MAN MAN MAN | 0.444444 | 0.9375 |
93 | GAL GC2 | 0.443038 | 0.6875 |
94 | GLC GAL NAG GAL FUC GLA | 0.44086 | 0.978261 |
95 | EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM | 0.43956 | 0.9 |
96 | GAL NGA | 0.438356 | 0.93617 |
97 | NDG NAG | 0.438356 | 0.918367 |
98 | NAG FUC GAL FUC A2G | 0.438202 | 0.918367 |
99 | NAG GAL FUC FUC A2G | 0.438202 | 0.918367 |
100 | MGL GAL | 0.4375 | 0.73913 |
101 | NAG NAG BMA MAN | 0.436782 | 0.865385 |
102 | BGC GLA GAL | 0.435484 | 0.733333 |
103 | BGC GAL GLA | 0.434783 | 0.733333 |
104 | BGC GAL NAG GAL FUC | 0.433333 | 0.978261 |
105 | A2G THR GAL NAG | 0.433333 | 0.882353 |
106 | IFM BGC | 0.432836 | 0.711538 |
107 | GLC G6P | 0.430769 | 0.611111 |
108 | MBG NAG | 0.430556 | 0.957447 |
109 | NAG BMA MAN MAN MAN MAN MAN MAN MAN | 0.430108 | 1 |
110 | NGA THR GAL NAG | 0.428571 | 0.882353 |
111 | BGC GAL NAG NAG GAL GAL | 0.428571 | 0.9375 |
112 | BGC FUC GAL NAG GAL | 0.428571 | 0.978261 |
113 | MAN MNM | 0.426471 | 0.84 |
114 | NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN | 0.425532 | 1 |
115 | GLA NAG FUC GAL | 0.425287 | 0.957447 |
116 | GAL NAG | 0.424658 | 1 |
117 | MBG A2G | 0.424658 | 0.957447 |
118 | GN1 | 0.424242 | 0.75 |
119 | NG1 | 0.424242 | 0.75 |
120 | NDG GAL | 0.422535 | 0.741379 |
121 | BMA MAN MAN | 0.422535 | 0.733333 |
122 | MAN MAN | 0.421875 | 0.695652 |
123 | MAN MAN M6P | 0.421053 | 0.611111 |
124 | BGC XGP | 0.42029 | 0.611111 |
125 | MAN IPD MAN | 0.41791 | 0.611111 |
126 | MAN NAG PO4 NGA PO4 | 0.416667 | 0.789474 |
127 | NAG GAL UNU | 0.416667 | 0.918367 |
128 | NAG BMA MAN MAN NAG GAL NAG GAL | 0.416667 | 0.918367 |
129 | NG6 GCD | 0.416667 | 0.661538 |
130 | MAN GLA ABE | 0.415584 | 0.723404 |
131 | RZM | 0.415385 | 0.72549 |
132 | GPM GLC | 0.414286 | 0.6 |
133 | NAG 2FG SIA | 0.414141 | 0.803571 |
134 | GAL NAG GAL FUC | 0.413793 | 0.9375 |
135 | BGC OXZ | 0.411765 | 0.672727 |
136 | 9MR | 0.411765 | 0.74 |
137 | BGC BGC BGC BGC BGC BGC BGC BGC | 0.410959 | 0.733333 |
138 | 3QL | 0.410256 | 0.865385 |
139 | RR7 GLC | 0.409091 | 0.702128 |
140 | BGC FUC GAL NAG | 0.409091 | 0.978261 |
141 | GAL NAG GAL FUC FUC | 0.409091 | 0.957447 |
142 | G2F SHG BGC BGC | 0.408451 | 0.673469 |
143 | GAL NAG GAL SIA | 0.407767 | 0.849057 |
144 | SIA GAL NGA GAL | 0.407767 | 0.865385 |
145 | SNG | 0.40625 | 0.816327 |
146 | BMA MAN MAN NAG GAL NAG | 0.40625 | 0.9375 |
147 | NOY BGC | 0.405797 | 0.84 |
148 | MAN MAN MAN GLC | 0.405405 | 0.733333 |
149 | ASG GC4 | 0.404762 | 0.671875 |
150 | MAG FUC GAL FUC | 0.402439 | 0.9375 |
151 | NAG NAG NAG TMX | 0.402439 | 0.775862 |
152 | MAG GAL FUC FUC | 0.402439 | 0.9375 |
153 | 8VW | 0.4 | 0.849057 |
154 | ABL | 0.4 | 0.877551 |
155 | NBG | 0.4 | 0.888889 |
156 | GLC 7LQ | 0.4 | 0.659574 |
157 | BGC GAL FUC A2G | 0.4 | 0.978261 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|
No: | Ligand | Similarity coefficient |
---|---|---|
1 | NGA GAL | 1.0000 |
2 | A2G GAL | 0.9798 |
3 | MGC GAL | 0.9539 |
4 | NOK GAL | 0.9463 |
5 | GAL NOK | 0.9463 |
6 | NAG GAL | 0.9460 |
7 | NGA GCD | 0.9412 |
8 | LOG GAL | 0.9410 |
9 | NAG GAD | 0.9259 |
10 | NAG GCD | 0.9259 |
11 | NAG GC4 | 0.9197 |
12 | NDG GAD | 0.9187 |
13 | NAG BDP | 0.9133 |
14 | BGC GAL | 0.8996 |
15 | GAL NGT | 0.8989 |
16 | NGT GAL | 0.8989 |
17 | MBG GAL | 0.8960 |
18 | GLC GAL | 0.8910 |
19 | GAL GLA | 0.8845 |
20 | GAL GAL | 0.8844 |
21 | NDG GAL | 0.8805 |
22 | NGA NAG | 0.8800 |
23 | FRU GAL | 0.8776 |
24 | BGC BGC | 0.8747 |
25 | NOY BGC | 0.8729 |
26 | BMA GAL | 0.8712 |
27 | IFM BMA | 0.8660 |
28 | PA1 GCS | 0.8651 |
29 | 4WS GAL | 0.8600 |
30 | BMA BMA | 0.8588 |
31 | YIO GAL | 0.8576 |
32 | NG6 GCD | 0.8531 |
33 | GAL NAG | 0.8512 |
This union binding pocket(no: 1) in the query (biounit: 5a57.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |