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- 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 | 5T05 | - | A3P | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
2 | 5T0A | - | A3P | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
3 | 5T03 | - | A3P | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 322 families. | |||||
1 | 3VD8 | - | GLC GLC GLC GLC | n/a | n/a |
2 | 6ANV | - | GLC GLC GLC GLC | n/a | n/a |
3 | 3JYR | Kd = 2.9 uM | GLC GLC AC1 | n/a | n/a |
4 | 4IFP | - | GLC GLC | n/a | n/a |
5 | 5I04 | - | GLC GLC | n/a | n/a |
6 | 3SET | - | GLC GLC | n/a | n/a |
7 | 3SEY | - | GLC GLC | n/a | n/a |
8 | 5B3Y | - | GLC GLC | n/a | n/a |
9 | 1JW5 | - | GLC GLC | n/a | n/a |
10 | 3Q29 | - | GLC GLC | n/a | n/a |
11 | 1FQC | - | GLO GLC GLC | n/a | n/a |
12 | 5ZCA | - | GLC GLC | n/a | n/a |
13 | 1ANF | Ki = 3.5 uM | GLC GLC | n/a | n/a |
14 | 3MBP | Ki = 0.16 uM | GLC GLC GLC | n/a | n/a |
15 | 1DMB | Kd = 1.8 uM | GLC GLC GLC GLC GLC GLC GLC | n/a | n/a |
16 | 1FQB | - | SOR GLC GLC | n/a | n/a |
17 | 3SEU | - | GLC GLC | n/a | n/a |
18 | 6EQZ | - | GLC GLC | n/a | n/a |
19 | 5B3X | - | GLC GLC | n/a | n/a |
20 | 3G7W | - | GLC GLC GLC | n/a | n/a |
21 | 3Q26 | - | GLC GLC | n/a | n/a |
22 | 4MBP | Ki = 2.3 uM | GLC GLC GLC GLC | n/a | n/a |
23 | 1FQD | - | GLO GLC GLC GLC | n/a | n/a |
24 | 5MM3 | - | GLC GLC | n/a | n/a |
25 | 3Q25 | - | GLC GLC | n/a | n/a |
26 | 4JBZ | - | GLC GLC | n/a | n/a |
27 | 3SER | - | GLC GLC | n/a | n/a |
28 | 1LAX | Kd = 2 uM | GLC GLC | n/a | n/a |
29 | 6N84 | - | GLC GLC | n/a | n/a |
30 | 3SES | - | GLC GLC | n/a | n/a |
31 | 1MDP | - | GLC GLC | n/a | n/a |
32 | 1MDQ | - | GLC GLC | n/a | n/a |
33 | 3SEX | - | GLC GLC | n/a | n/a |
34 | 1JVX | - | GLC GLC | n/a | n/a |
35 | 5B3Z | - | GLC GLC | n/a | n/a |
36 | 1NL5 | Kd = 6 nM | GLC GLC | n/a | n/a |
37 | 3G7V | - | GLC GLC | n/a | n/a |
38 | 3RUM | - | GLC GLC | n/a | n/a |
39 | 1JVY | - | GLC GLC | n/a | n/a |
40 | 3Q28 | - | GLC GLC | n/a | n/a |
41 | 3SEW | - | GLC GLC | n/a | n/a |
42 | 3LBS | - | GLC GLC | n/a | n/a |
43 | 1EZ9 | Kd = 8 uM | GLO GLC GLC GLC | n/a | n/a |
44 | 3Q27 | - | GLC GLC | n/a | n/a |
45 | 5BMY | - | GLC GLC | n/a | n/a |
46 | 1FQA | - | SOR GLC GLC GLC | n/a | n/a |
47 | 1MPD | - | GLC GLC | n/a | n/a |
48 | 4RG5 | - | GLC GLC | n/a | n/a |
49 | 3HPI | Kd = 6.6 uM | GLC FRU | n/a | n/a |
50 | 5B3W | - | GLC GLC | n/a | n/a |
51 | 2VGQ | - | GLC GLC GLC GLC | n/a | n/a |
52 | 5IHJ | - | GLC GLC GLC | n/a | n/a |
53 | 5CFV | - | GLC GLC | n/a | n/a |
54 | 5II5 | - | GLC GLC | n/a | n/a |
55 | 5II4 | - | GLC GLC | n/a | n/a |
56 | 5IQZ | - | GLC GLC | n/a | n/a |
57 | 4WMT | - | 865 | C37 H36 N6 O4 | Cc1ccnc(c1.... |
58 | 4WGI | - | 3M6 | C30 H30 F4 N4 O7 S | C[C@@H]1CN.... |
59 | 6YBK | Ki = 5 nM | OK2 | C40 H38 Cl F N6 O5 S | Cc1c(ccc(c.... |
60 | 6QYO | - | GLC GLC | n/a | n/a |
61 | 6QZ7 | - | JLE | C25 H22 N4 O2 S | CCc1c(c2c(.... |
62 | 6QXJ | - | GLC GLC | n/a | n/a |
63 | 4WMX | Kd = 14.1 uM | 3R7 | C15 H13 N O4 S | C=Cc1ccc(c.... |
64 | 4WMV | Kd = 93 uM | 3R4 | C9 H4 Cl F O2 S | c1cc2c(cc1.... |
65 | 6YBL | Ki = 0.029 nM | OK5 | C47 H44 Cl F N6 O6 S | Cc1c(ccc(c.... |
66 | 4WMW | - | 3R6 | C8 H8 O3 S | CSc1ccc(c(.... |
67 | 4WMS | - | GLC GLC | n/a | n/a |
68 | 6QYL | - | JLE | C25 H22 N4 O2 S | CCc1c(c2c(.... |
69 | 6QYN | - | GLC GLC | n/a | n/a |
70 | 5LOF | Kd = 0.19 nM | 70R | C39 H37 Cl F4 N6 O6 S | Cc1c(ccc(c.... |
71 | 6YBJ | Ki = 0.86 nM | OJW | C38 H38 Cl F N6 O6 S | Cc1c(ccc(c.... |
72 | 4WMU | Kd = 0.18 uM | 19H | C20 H19 Cl2 N O3 | Cc1cc(cc(c.... |
73 | 6QYK | - | GLC GLC | n/a | n/a |
74 | 6QGD | - | J1N | C17 H17 N3 O3 S | CCc1c(c2c(.... |
75 | 5OSQ | - | GLC GLC | n/a | n/a |
76 | 3D4G | - | GLC GLC | n/a | n/a |
77 | 4WVH | - | GLC GLC | n/a | n/a |
78 | 4WVG | - | GLC GLC | n/a | n/a |
79 | 4WTH | - | GLC GLC | n/a | n/a |
80 | 4YS9 | - | GLC GLC | n/a | n/a |
81 | 4MY2 | - | GLC GLC | n/a | n/a |
82 | 4KYC | - | GLC GLC | n/a | n/a |
83 | 1HSJ | - | GLC GLC | n/a | n/a |
84 | 5HZ7 | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
85 | 3H4Z | - | GLC GLC | n/a | n/a |
86 | 5WPZ | - | GLC GLC | n/a | n/a |
87 | 5WQ6 | - | GLC GLC | n/a | n/a |
88 | 5H7Q | - | GLC GLC | n/a | n/a |
89 | 3DM0 | - | GLC GLC | n/a | n/a |
90 | 3OAI | - | GLC GLC | n/a | n/a |
91 | 5TTD | - | GLC GLC GLC | n/a | n/a |
92 | 4KYD | - | GLC GLC | n/a | n/a |
93 | 5JST | - | GLC GLC | n/a | n/a |
94 | 2XZ3 | - | GLC GLC | n/a | n/a |
95 | 3N94 | - | GLC GLC | n/a | n/a |
96 | 4QVH | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
97 | 4XZS | - | GLC GLC | n/a | n/a |
98 | 5H7N | - | GLC GLC GLC GLC | n/a | n/a |
99 | 4PE2 | - | GLC GLC | n/a | n/a |
100 | 3O3U | - | GLC GLC GLC | n/a | n/a |
101 | 4TSM | - | GLC GLC GLC GLC | n/a | n/a |
102 | 4IKM | - | GLC GLC | n/a | n/a |
103 | 1Y4C | - | GLC GLC | n/a | n/a |
104 | 6WBH | - | GLC GLC | n/a | n/a |
105 | 6WBJ | - | GLC GLC | n/a | n/a |
106 | 5T05 | - | A3P | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
107 | 5T0A | - | A3P | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
108 | 5T03 | - | A3P | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
109 | 5C7R | - | GLC GLC GLC | n/a | n/a |
110 | 5DFM | - | GLC GLC | n/a | n/a |
111 | 4IRL | - | GLC GLC GLC GLC | n/a | n/a |
112 | 1MG1 | - | GLC GLC | n/a | n/a |
113 | 5AZ7 | - | GLC GLC | n/a | n/a |
114 | 6ZIS | - | 3N6 | C38 H47 Br2 N9 O5 | c1ccc2c(c1.... |
115 | 6ZHO | - | QLQ | C40 H49 N11 O5 | Cc1cc(cc2c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | A3P | 1 | 1 |
2 | PAP | 0.835616 | 0.985507 |
3 | PPS | 0.802632 | 0.871795 |
4 | 3AM | 0.794118 | 0.956522 |
5 | A | 0.684932 | 0.971014 |
6 | AMP | 0.684932 | 0.971014 |
7 | A2P | 0.684211 | 0.985294 |
8 | 7D5 | 0.666667 | 0.902778 |
9 | 2AM | 0.635135 | 0.942857 |
10 | ATR | 0.595238 | 0.971014 |
11 | A2D | 0.594937 | 0.943662 |
12 | ABM | 0.594937 | 0.916667 |
13 | 45A | 0.594937 | 0.916667 |
14 | ADP | 0.592593 | 0.971429 |
15 | AMP MG | 0.589744 | 0.928571 |
16 | SRA | 0.589744 | 0.917808 |
17 | 9BG | 0.586538 | 0.894737 |
18 | RAB | 0.585714 | 0.816901 |
19 | ADN | 0.585714 | 0.816901 |
20 | XYA | 0.585714 | 0.816901 |
21 | AN2 | 0.585366 | 0.957747 |
22 | A22 | 0.58427 | 0.957747 |
23 | PUA | 0.583333 | 0.883117 |
24 | 0WD | 0.580952 | 0.894737 |
25 | A12 | 0.580247 | 0.931507 |
26 | BA3 | 0.580247 | 0.943662 |
27 | AP2 | 0.580247 | 0.931507 |
28 | ATP A | 0.578947 | 0.929577 |
29 | ATP A A A | 0.578947 | 0.929577 |
30 | 25A | 0.577778 | 0.971429 |
31 | AGS | 0.576471 | 0.918919 |
32 | B4P | 0.573171 | 0.943662 |
33 | AP5 | 0.573171 | 0.943662 |
34 | HEJ | 0.571429 | 0.971429 |
35 | ATP | 0.571429 | 0.971429 |
36 | OVE | 0.56962 | 0.90411 |
37 | 7D3 | 0.567901 | 0.90411 |
38 | AT4 | 0.566265 | 0.931507 |
39 | 5FA | 0.564706 | 0.971429 |
40 | AQP | 0.564706 | 0.971429 |
41 | 2A5 | 0.564706 | 0.917808 |
42 | APC | 0.564706 | 0.931507 |
43 | V3L | 0.563218 | 0.971429 |
44 | APU | 0.563107 | 0.918919 |
45 | PAX | 0.5625 | 0.85 |
46 | ETB | 0.559633 | 0.809524 |
47 | DCA | 0.559633 | 0.8 |
48 | AU1 | 0.559524 | 0.944444 |
49 | M33 | 0.559524 | 0.930556 |
50 | CA0 | 0.559524 | 0.917808 |
51 | ADX | 0.559524 | 0.848101 |
52 | LQJ | 0.556701 | 0.943662 |
53 | HQG | 0.555556 | 0.957747 |
54 | A2R | 0.555556 | 0.957747 |
55 | ACP | 0.552941 | 0.944444 |
56 | 50T | 0.552941 | 0.930556 |
57 | KG4 | 0.552941 | 0.917808 |
58 | 0T1 | 0.54955 | 0.8 |
59 | COA | 0.54955 | 0.8 |
60 | ADP MG | 0.547619 | 0.942857 |
61 | ADP BEF | 0.547619 | 0.942857 |
62 | APR | 0.546512 | 0.943662 |
63 | PRX | 0.546512 | 0.891892 |
64 | AR6 | 0.546512 | 0.943662 |
65 | TAT | 0.545455 | 0.931507 |
66 | T99 | 0.545455 | 0.931507 |
67 | ACQ | 0.545455 | 0.944444 |
68 | DA | 0.54321 | 0.902778 |
69 | D5M | 0.54321 | 0.902778 |
70 | 7D4 | 0.541176 | 0.90411 |
71 | RBY | 0.54023 | 0.905405 |
72 | AD9 | 0.54023 | 0.944444 |
73 | ADV | 0.54023 | 0.905405 |
74 | ADQ | 0.537634 | 0.917808 |
75 | AMX | 0.535088 | 0.809524 |
76 | CAO | 0.535088 | 0.772727 |
77 | 30N | 0.535088 | 0.731183 |
78 | COS | 0.535088 | 0.781609 |
79 | SCO | 0.530435 | 0.8 |
80 | CMX | 0.530435 | 0.8 |
81 | SON | 0.529412 | 0.931507 |
82 | GAP | 0.52809 | 0.891892 |
83 | ANP | 0.52809 | 0.944444 |
84 | 7D7 | 0.527778 | 0.763889 |
85 | 6YZ | 0.527473 | 0.944444 |
86 | 5N5 | 0.527027 | 0.791667 |
87 | OOB | 0.526882 | 0.930556 |
88 | NA7 | 0.526316 | 0.931507 |
89 | ACO | 0.525862 | 0.772727 |
90 | FAM | 0.525862 | 0.781609 |
91 | FCX | 0.525862 | 0.772727 |
92 | ATP MG | 0.522727 | 0.942857 |
93 | APC MG | 0.522727 | 0.916667 |
94 | ADP PO3 | 0.522727 | 0.942857 |
95 | 5AL | 0.522222 | 0.930556 |
96 | V2G | 0.522222 | 0.894737 |
97 | 8LE | 0.522222 | 0.893333 |
98 | HAX | 0.521368 | 0.781609 |
99 | J4G | 0.520833 | 0.918919 |
100 | A4D | 0.52 | 0.791667 |
101 | 5CD | 0.52 | 0.802817 |
102 | LMS | 0.518519 | 0.825 |
103 | FYN | 0.516949 | 0.8 |
104 | 3KK | 0.516949 | 0.781609 |
105 | BEF ADP | 0.516854 | 0.916667 |
106 | ATF | 0.516484 | 0.931507 |
107 | QA7 | 0.516129 | 0.893333 |
108 | 8LQ | 0.516129 | 0.905405 |
109 | DLL | 0.515789 | 0.930556 |
110 | 00A | 0.515789 | 0.881579 |
111 | DTA | 0.512821 | 0.783784 |
112 | CA6 | 0.512605 | 0.708333 |
113 | COK | 0.512605 | 0.781609 |
114 | KGP | 0.512605 | 0.708333 |
115 | SOP | 0.512605 | 0.781609 |
116 | OXK | 0.512605 | 0.781609 |
117 | MCD | 0.512605 | 0.781609 |
118 | YZS | 0.512605 | 0.708333 |
119 | SRP | 0.51087 | 0.905405 |
120 | 8LH | 0.51087 | 0.905405 |
121 | 9ZA | 0.510638 | 0.906667 |
122 | 9ZD | 0.510638 | 0.906667 |
123 | OZV | 0.510638 | 0.943662 |
124 | ADP BMA | 0.510417 | 0.891892 |
125 | 25L | 0.510204 | 0.957747 |
126 | CO6 | 0.508333 | 0.781609 |
127 | 1VU | 0.508333 | 0.772727 |
128 | CMC | 0.508333 | 0.781609 |
129 | NMX | 0.508333 | 0.73913 |
130 | MTA | 0.506329 | 0.77027 |
131 | A3G | 0.506024 | 0.773333 |
132 | PAJ | 0.505263 | 0.858974 |
133 | CAJ | 0.504132 | 0.781609 |
134 | SCD | 0.504132 | 0.8 |
135 | 2MC | 0.504132 | 0.747253 |
136 | CUU | 0.5 | 0.971429 |
137 | 1HE | 0.5 | 0.764045 |
138 | A1S | 0.5 | 0.781609 |
139 | MAP | 0.5 | 0.918919 |
140 | IVC | 0.5 | 0.790698 |
141 | NWW | 0.5 | 0.732394 |
142 | FYA | 0.5 | 0.90411 |
143 | BCO | 0.5 | 0.781609 |
144 | VO4 ADP | 0.5 | 0.944444 |
145 | ALF ADP | 0.5 | 0.868421 |
146 | 3HC | 0.5 | 0.790698 |
147 | EP4 | 0.5 | 0.75 |
148 | 3OD | 0.5 | 0.917808 |
149 | ANP MG | 0.5 | 0.930556 |
150 | PTJ | 0.5 | 0.894737 |
151 | MLC | 0.5 | 0.781609 |
152 | KGJ | 0.5 | 0.731183 |
153 | SO5 | 0.495935 | 0.701031 |
154 | LCV | 0.495935 | 0.701031 |
155 | CAA | 0.495935 | 0.790698 |
156 | COO | 0.495935 | 0.781609 |
157 | YE1 | 0.495935 | 0.790698 |
158 | MCA | 0.495935 | 0.772727 |
159 | 9X8 | 0.494845 | 0.893333 |
160 | 3UK | 0.494845 | 0.917808 |
161 | OAD | 0.494845 | 0.917808 |
162 | 5SV | 0.494737 | 0.846154 |
163 | 8QN | 0.494737 | 0.930556 |
164 | G 6MZ C | 0.494382 | 0.901408 |
165 | 101 | 0.493976 | 0.902778 |
166 | 6RE | 0.493976 | 0.75641 |
167 | 3DH | 0.493827 | 0.77027 |
168 | M2T | 0.493671 | 0.730769 |
169 | 5AD | 0.493151 | 0.742857 |
170 | YXS | 0.491935 | 0.708333 |
171 | MC4 | 0.491935 | 0.73913 |
172 | SCA | 0.491935 | 0.781609 |
173 | YXR | 0.491935 | 0.708333 |
174 | 2CP | 0.491935 | 0.772727 |
175 | WAQ | 0.489796 | 0.881579 |
176 | B5V | 0.489796 | 0.905405 |
177 | A1R | 0.489583 | 0.881579 |
178 | AMO | 0.489583 | 0.905405 |
179 | 4AD | 0.489583 | 0.893333 |
180 | A3R | 0.489583 | 0.881579 |
181 | AOC | 0.488095 | 0.819444 |
182 | COW | 0.488 | 0.772727 |
183 | BYC | 0.488 | 0.781609 |
184 | 3CP | 0.488 | 0.781609 |
185 | IRC | 0.488 | 0.790698 |
186 | 2KQ | 0.488 | 0.764045 |
187 | KFV | 0.488 | 0.715789 |
188 | 1GZ | 0.488 | 0.772727 |
189 | HGG | 0.488 | 0.781609 |
190 | COF | 0.488 | 0.764045 |
191 | KGA | 0.488 | 0.723404 |
192 | CA8 | 0.488 | 0.708333 |
193 | 38V | 0.487179 | 0.860759 |
194 | Y3J | 0.486842 | 0.722222 |
195 | FA5 | 0.485149 | 0.905405 |
196 | B5Y | 0.485149 | 0.893333 |
197 | 1ZZ | 0.484848 | 0.8375 |
198 | JNT | 0.484536 | 0.917808 |
199 | AHX | 0.484536 | 0.87013 |
200 | DAL AMP | 0.484211 | 0.90411 |
201 | 4CA | 0.484127 | 0.772727 |
202 | FAQ | 0.484127 | 0.781609 |
203 | BCA | 0.484127 | 0.772727 |
204 | AV2 | 0.483871 | 0.916667 |
205 | 5X8 | 0.483146 | 0.76 |
206 | DAT | 0.483146 | 0.90411 |
207 | 5AS | 0.482759 | 0.776471 |
208 | ANZ | 0.480769 | 0.820513 |
209 | 3AD | 0.480519 | 0.828571 |
210 | HXC | 0.480315 | 0.764045 |
211 | GRA | 0.480315 | 0.781609 |
212 | 3AT | 0.478261 | 0.971429 |
213 | A3S | 0.477273 | 0.783784 |
214 | TGC | 0.476562 | 0.772727 |
215 | 9SN | 0.475248 | 0.87013 |
216 | PR8 | 0.474747 | 0.848101 |
217 | LAD | 0.474747 | 0.858974 |
218 | S0N | 0.472868 | 0.781609 |
219 | 2NE | 0.472868 | 0.764045 |
220 | CIC | 0.472868 | 0.781609 |
221 | 1CZ | 0.472868 | 0.772727 |
222 | CCQ | 0.472868 | 0.747253 |
223 | CO8 | 0.472868 | 0.764045 |
224 | N9V | 0.472868 | 0.772727 |
225 | A5D | 0.472527 | 0.783784 |
226 | DSH | 0.470588 | 0.721519 |
227 | B5M | 0.470588 | 0.893333 |
228 | KMQ | 0.470588 | 0.905405 |
229 | APC G U | 0.470085 | 0.857143 |
230 | TXA | 0.47 | 0.905405 |
231 | BIS | 0.47 | 0.906667 |
232 | ME8 | 0.47 | 0.8375 |
233 | NB8 | 0.47 | 0.87013 |
234 | MYA | 0.469231 | 0.764045 |
235 | DCC | 0.469231 | 0.764045 |
236 | ST9 | 0.469231 | 0.764045 |
237 | 4CO | 0.469231 | 0.772727 |
238 | 5F9 | 0.469231 | 0.764045 |
239 | MFK | 0.469231 | 0.764045 |
240 | UCC | 0.469231 | 0.764045 |
241 | 0FQ | 0.469231 | 0.781609 |
242 | A3T | 0.466667 | 0.794521 |
243 | COA FLC | 0.466102 | 0.767442 |
244 | 01A | 0.465649 | 0.747253 |
245 | 0ET | 0.465649 | 0.764045 |
246 | UBG | 0.465649 | 0.839506 |
247 | TM1 | 0.465347 | 0.792683 |
248 | AS | 0.465116 | 0.855263 |
249 | J7C | 0.465116 | 0.766234 |
250 | IMO | 0.465116 | 0.928571 |
251 | PO4 PO4 A A A A PO4 | 0.464646 | 0.928571 |
252 | ZAS | 0.464286 | 0.763158 |
253 | DTP | 0.462366 | 0.90411 |
254 | DQV | 0.462264 | 0.930556 |
255 | 1CV | 0.462121 | 0.781609 |
256 | CS8 | 0.462121 | 0.755556 |
257 | WCA | 0.462121 | 0.764045 |
258 | 4UV | 0.461538 | 0.893333 |
259 | NJP | 0.460177 | 0.918919 |
260 | S4M | 0.45977 | 0.662791 |
261 | 4KX | 0.458647 | 0.755556 |
262 | UOQ | 0.458647 | 0.764045 |
263 | NHW | 0.458647 | 0.764045 |
264 | NHM | 0.458647 | 0.764045 |
265 | HDC | 0.458647 | 0.764045 |
266 | LAQ | 0.457944 | 0.8375 |
267 | JB6 | 0.455446 | 0.881579 |
268 | NPW | 0.455357 | 0.860759 |
269 | NDP | 0.455357 | 0.894737 |
270 | MRR | 0.455224 | 0.764045 |
271 | HFQ | 0.455224 | 0.764045 |
272 | MRS | 0.455224 | 0.764045 |
273 | UPA | 0.454545 | 0.881579 |
274 | MAO | 0.454545 | 0.756098 |
275 | GGZ | 0.453608 | 0.822785 |
276 | NEC | 0.453488 | 0.72 |
277 | 4UU | 0.45283 | 0.893333 |
278 | AFH | 0.45283 | 0.858974 |
279 | NHQ | 0.452555 | 0.790698 |
280 | XAH | 0.451923 | 0.8375 |
281 | YNC | 0.451852 | 0.772727 |
282 | J5H | 0.451852 | 0.781609 |
283 | DAK | 0.451852 | 0.755556 |
284 | SAH | 0.451613 | 0.74026 |
285 | G5A | 0.451613 | 0.776471 |
286 | KL2 | 0.451219 | 0.861111 |
287 | MYR AMP | 0.45098 | 0.814815 |
288 | H1Q | 0.450549 | 0.902778 |
289 | SFG | 0.450549 | 0.746667 |
290 | 2VA | 0.450549 | 0.773333 |
291 | 4UW | 0.449541 | 0.858974 |
292 | 8Z2 | 0.448529 | 0.755556 |
293 | A3N | 0.448276 | 0.76 |
294 | AMP DBH | 0.447619 | 0.866667 |
295 | V1N | 0.447619 | 0.916667 |
296 | 103 | 0.447059 | 0.861111 |
297 | ACK | 0.447059 | 0.885714 |
298 | QQY | 0.447059 | 0.837838 |
299 | 3NZ | 0.445545 | 0.75641 |
300 | TYM | 0.445455 | 0.905405 |
301 | A7D | 0.444444 | 0.773333 |
302 | XNP | 0.443478 | 0.871795 |
303 | G3A | 0.443396 | 0.894737 |
304 | 6MZ | 0.443182 | 0.929577 |
305 | GJV | 0.443182 | 0.746835 |
306 | DZ4 | 0.442105 | 0.88 |
307 | 9K8 | 0.441176 | 0.711111 |
308 | SA8 | 0.44086 | 0.703704 |
309 | NVA 2AD | 0.44086 | 0.734177 |
310 | NWQ | 0.440476 | 0.712329 |
311 | 48N | 0.440367 | 0.87013 |
312 | YLP | 0.440367 | 0.817073 |
313 | WMP | 0.439655 | 0.864865 |
314 | G5P | 0.439252 | 0.894737 |
315 | GA7 | 0.439252 | 0.88 |
316 | AR6 AR6 | 0.439252 | 0.916667 |
317 | G3D | 0.438776 | 0.905405 |
318 | TSB | 0.438776 | 0.795181 |
319 | D3Y | 0.438776 | 0.763158 |
320 | TXP | 0.438596 | 0.894737 |
321 | NZQ | 0.438596 | 0.883117 |
322 | ZZB | 0.438596 | 0.792683 |
323 | A5A | 0.4375 | 0.804878 |
324 | N5O | 0.436782 | 0.736842 |
325 | DND | 0.436364 | 0.905405 |
326 | NAX | 0.436364 | 0.848101 |
327 | UP5 | 0.436364 | 0.893333 |
328 | NAI | 0.436364 | 0.881579 |
329 | VRT | 0.43617 | 0.74359 |
330 | SO8 | 0.43617 | 0.763158 |
331 | SAI | 0.43617 | 0.730769 |
332 | 1HA | 0.435714 | 0.764045 |
333 | A6D | 0.435644 | 0.719512 |
334 | QQX | 0.435294 | 0.826667 |
335 | GTA | 0.435185 | 0.860759 |
336 | TAD | 0.435185 | 0.858974 |
337 | ODP | 0.434783 | 0.883117 |
338 | V47 | 0.43299 | 0.780822 |
339 | SSA | 0.43299 | 0.776471 |
340 | SMM | 0.43299 | 0.682353 |
341 | 01K | 0.432624 | 0.781609 |
342 | OMR | 0.432432 | 0.82716 |
343 | DDS | 0.431579 | 0.876712 |
344 | 139 | 0.429825 | 0.848101 |
345 | COT | 0.429577 | 0.781609 |
346 | F8G | 0.429577 | 0.731183 |
347 | CC5 | 0.428571 | 0.814286 |
348 | VMS | 0.428571 | 0.785714 |
349 | 54H | 0.428571 | 0.785714 |
350 | 52H | 0.428571 | 0.776471 |
351 | AP0 | 0.428571 | 0.87013 |
352 | 4TC | 0.428571 | 0.87013 |
353 | DZD | 0.42735 | 0.858974 |
354 | LPA AMP | 0.427273 | 0.814815 |
355 | EEM | 0.427083 | 0.686747 |
356 | AAT | 0.427083 | 0.703704 |
357 | N5A | 0.426966 | 0.710526 |
358 | BUA COA | 0.426357 | 0.75 |
359 | 7MD | 0.425926 | 0.8375 |
360 | ARG AMP | 0.425926 | 0.82716 |
361 | 3D1 | 0.425 | 0.77027 |
362 | 3L1 | 0.425 | 0.77027 |
363 | 53H | 0.424242 | 0.776471 |
364 | 8X1 | 0.424242 | 0.75 |
365 | 5CA | 0.424242 | 0.776471 |
366 | MHZ | 0.423913 | 0.694118 |
367 | CA3 | 0.423611 | 0.781609 |
368 | 6V0 | 0.423423 | 0.87013 |
369 | TXD | 0.423423 | 0.881579 |
370 | TAP | 0.422764 | 0.906667 |
371 | 1DG | 0.422764 | 0.894737 |
372 | DG1 | 0.422764 | 0.894737 |
373 | 38Y | 0.422414 | 0.804878 |
374 | IOT | 0.421053 | 0.829268 |
375 | TXE | 0.419643 | 0.881579 |
376 | S7M | 0.418367 | 0.686747 |
377 | AHZ | 0.418182 | 0.814815 |
378 | P5A | 0.417476 | 0.741573 |
379 | T5A | 0.417391 | 0.817073 |
380 | SAM | 0.416667 | 0.686747 |
381 | YLB | 0.415929 | 0.817073 |
382 | 7MC | 0.415929 | 0.817073 |
383 | F0P | 0.415929 | 0.725 |
384 | L3W | 0.415929 | 0.905405 |
385 | YLC | 0.415929 | 0.8375 |
386 | CPA | 0.415929 | 0.825 |
387 | NAD IBO | 0.415929 | 0.916667 |
388 | NAD TDB | 0.415929 | 0.916667 |
389 | NSS | 0.415842 | 0.776471 |
390 | DSZ | 0.415842 | 0.776471 |
391 | LSS | 0.415842 | 0.758621 |
392 | AAM | 0.41573 | 0.971014 |
393 | 8PZ | 0.415094 | 0.776471 |
394 | NAP | 0.414634 | 0.944444 |
395 | OZP | 0.414414 | 0.725 |
396 | KOY | 0.414414 | 0.8 |
397 | SP1 | 0.413793 | 0.864865 |
398 | RP1 | 0.413793 | 0.864865 |
399 | CNA | 0.413793 | 0.905405 |
400 | A4P | 0.412281 | 0.819277 |
401 | NVA LMS | 0.411765 | 0.75 |
402 | YSA | 0.411215 | 0.776471 |
403 | 8BR | 0.411111 | 0.905405 |
404 | 6NA COA | 0.410448 | 0.733333 |
405 | F2R | 0.410256 | 0.839506 |
406 | 5J9 | 0.409524 | 0.728395 |
407 | RMW | 0.409396 | 0.764045 |
408 | CA5 | 0.409396 | 0.747253 |
409 | ITT | 0.408602 | 0.915493 |
410 | NA0 | 0.408 | 0.931507 |
411 | LEU LMS | 0.407767 | 0.727273 |
412 | HMG | 0.407407 | 0.75 |
413 | ALF ADP 3PG | 0.40708 | 0.835443 |
414 | AF3 ADP 3PG | 0.40708 | 0.835443 |
415 | NAD | 0.40678 | 0.930556 |
416 | COD | 0.40678 | 0.788235 |
417 | 93P | 0.406667 | 0.772727 |
418 | UCA | 0.406667 | 0.764045 |
419 | 2BA | 0.406593 | 0.942029 |
420 | CMP | 0.406593 | 0.927536 |
421 | 71V | 0.406593 | 0.881579 |
422 | 6C6 | 0.40625 | 0.88 |
423 | QXP | 0.405941 | 0.761905 |
424 | GEK | 0.405941 | 0.734177 |
425 | 12D | 0.405405 | 0.783133 |
426 | ADJ | 0.405172 | 0.82716 |
427 | YLA | 0.405172 | 0.817073 |
428 | KAA | 0.403846 | 0.75 |
429 | R2V | 0.403846 | 0.761905 |
430 | GSU | 0.403846 | 0.776471 |
431 | BT5 | 0.403361 | 0.829268 |
432 | 3GP | 0.402174 | 0.891892 |
433 | 6IA | 0.402062 | 0.835443 |
434 | NX8 | 0.402062 | 0.691358 |
435 | 0UM | 0.401961 | 0.695122 |
436 | K3K | 0.401869 | 0.776316 |
437 | G G 6MZ C | 0.401709 | 0.825 |
438 | AYB | 0.401709 | 0.807229 |
439 | M24 | 0.401639 | 0.848101 |
440 | DCR COA | 0.40146 | 0.733333 |
441 | X90 COA | 0.40146 | 0.733333 |
442 | EO3 COA | 0.40146 | 0.733333 |
443 | PLM COA | 0.40146 | 0.733333 |
444 | DKA COA | 0.40146 | 0.733333 |
445 | MYR COA | 0.40146 | 0.733333 |
446 | DAO COA | 0.40146 | 0.733333 |
447 | J7V | 0.4 | 0.809524 |
448 | 80F | 0.4 | 0.817073 |
449 | A3D | 0.4 | 0.917808 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GLC GLC GLC GLC | 1 | 1 |
2 | GLC GLC GLC GLC GLC GLC GLC | 0.510638 | 0.939394 |
3 | GLC GLC GLC GLC GLC GLC | 0.510638 | 0.939394 |
4 | GLC GLC GLC GLC GLC GLC GLC GLC | 0.510638 | 0.939394 |
5 | 4PW | 0.5 | 0.777778 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | BDP NPO GNS BDP GNS BDP GNS | 1 | 1 |
2 | BDP NPO GNS IDS GNS BDP GNS | 0.865385 | 1 |
3 | BDP NPO GNS BDP | 0.845361 | 0.986486 |
4 | BDP NPO NDG BDP NDG | 0.747573 | 0.769231 |
5 | BDP GNS BDP GNS BDP GNS BDP | 0.566038 | 0.851351 |
6 | GNS IDR GNS IDR GNS IDR GNS IDR | 0.560748 | 0.851351 |
7 | RCB | 0.504951 | 0.716216 |
8 | NPJ | 0.5 | 0.716216 |
9 | 6Y2 | 0.490741 | 0.769231 |
10 | KHP | 0.44086 | 0.644737 |
11 | PNW | 0.427083 | 0.689189 |
12 | MBE | 0.427083 | 0.689189 |
13 | GLA NPO | 0.427083 | 0.689189 |
14 | 147 | 0.427083 | 0.689189 |
15 | PNG | 0.427083 | 0.689189 |
16 | PNA | 0.427083 | 0.689189 |
17 | NBZ GLA | 0.427083 | 0.689189 |
18 | LEC NGA | 0.424779 | 0.769231 |
19 | LEC | 0.423077 | 0.753247 |
20 | 6ZC | 0.423077 | 0.753247 |
21 | ZDO IDS SUS BDP SGN | 0.411765 | 0.828947 |
22 | A2G NPO GAL | 0.410714 | 0.779221 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BGC GLC GLC GLC | 0.9840 |
2 | GLC GLC AC1 | 0.9642 |
3 | GLC G6D ADH GLC | 0.9064 |
4 | GLC GAL GLD ACI | 0.9008 |
5 | GLC G6D ACI GLC | 0.8960 |
6 | BGC GLC AC1 | 0.8951 |
7 | GLC GLC DAF | 0.8904 |
8 | GLO GLC GLC GLC | 0.8881 |
9 | GLC GLC GLC BGC | 0.8817 |
10 | SOR GLC GLC GLC | 0.8761 |
No: | Ligand | Similarity coefficient |
---|
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BDP GNS BDP GNS BDP GNS NPO | 1.0000 |
This union binding pocket(no: 1) in the query (biounit: 5t0a.bio2) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5t0a.bio2) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 5t0a.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |