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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 1 families. | |||||
1 | 2C1X | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
2 | 2C9Z | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
3 | 2C1Z | - | U2F | C15 H23 F N2 O16 P2 | C1=CN(C(=O.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4REL | - | KMP | C15 H10 O6 | c1cc(ccc1C.... |
2 | 4WHM | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
3 | 3HBF | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
4 | 3HBJ | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
5 | 2C1X | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
6 | 2C9Z | - | UDP | C9 H14 N2 O12 P2 | C1=CN(C(=O.... |
7 | 2C1Z | - | U2F | C15 H23 F N2 O16 P2 | C1=CN(C(=O.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | QUE | 1 | 1 |
2 | IRH | 0.704918 | 0.882353 |
3 | KMP | 0.678571 | 0.967742 |
4 | J8G | 0.65 | 0.882353 |
5 | MYC | 0.649123 | 1 |
6 | MYU | 0.57377 | 1 |
7 | MRI | 0.557377 | 0.967742 |
8 | FSE | 0.52459 | 0.967742 |
9 | 6JM | 0.516129 | 0.967742 |
10 | CC6 | 0.515625 | 0.967742 |
11 | QCT | 0.481013 | 0.885714 |
12 | HW2 | 0.47561 | 0.756098 |
13 | LU2 | 0.454545 | 1 |
14 | NRA | 0.40625 | 0.903226 |
15 | RUT | 0.402062 | 0.738095 |
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 | XIL | 1.0000 |
2 | DQH | 0.9996 |
3 | 7LU | 0.9931 |
4 | DH2 | 0.9928 |
5 | HWB | 0.9816 |
6 | O9Z | 0.9780 |
7 | AGI | 0.9780 |
8 | O9T | 0.9776 |
9 | O9Q | 0.9745 |
10 | 6B5 | 0.9741 |
11 | KXN | 0.9722 |
12 | 6BK | 0.9695 |
13 | J8D | 0.9689 |
14 | NAR | 0.9674 |
15 | 6JP | 0.9654 |
16 | BUX | 0.9606 |
17 | CWE | 0.9582 |
18 | SAK | 0.9574 |
19 | H32 | 0.9572 |
20 | 3WL | 0.9560 |
21 | 57D | 0.9543 |
22 | BHF | 0.9532 |
23 | DFV | 0.9497 |
24 | 3JC | 0.9488 |
25 | Q12 | 0.9473 |
26 | AX1 | 0.9472 |
27 | E9L | 0.9376 |
28 | H2W | 0.9371 |
29 | DDC | 0.9367 |
30 | CDJ | 0.9365 |
31 | W8L | 0.9360 |
32 | E3U | 0.9358 |
33 | 20D | 0.9356 |
34 | 79X | 0.9353 |
35 | M3W | 0.9348 |
36 | NU3 | 0.9338 |
37 | BRY | 0.9334 |
38 | 1V8 | 0.9334 |
39 | HUL | 0.9327 |
40 | 7G2 | 0.9324 |
41 | 1V1 | 0.9323 |
42 | SGW | 0.9322 |
43 | 6JO | 0.9322 |
44 | RGK | 0.9321 |
45 | TH1 | 0.9319 |
46 | 041 | 0.9315 |
47 | BJ4 | 0.9311 |
48 | AV6 | 0.9308 |
49 | VT3 | 0.9305 |
50 | OUG | 0.9300 |
51 | A73 | 0.9294 |
52 | 3TI | 0.9289 |
53 | DFL | 0.9282 |
54 | OSY | 0.9280 |
55 | AJ6 | 0.9280 |
56 | 5WW | 0.9279 |
57 | 40N | 0.9278 |
58 | NKI | 0.9277 |
59 | OUA | 0.9274 |
60 | 1R5 | 0.9270 |
61 | IMK | 0.9265 |
62 | AJ4 | 0.9264 |
63 | D5F | 0.9261 |
64 | SZ5 | 0.9255 |
65 | 3F4 | 0.9253 |
66 | 1EL | 0.9251 |
67 | 2QU | 0.9248 |
68 | FL8 | 0.9246 |
69 | 97K | 0.9245 |
70 | Q19 | 0.9241 |
71 | 18E | 0.9241 |
72 | BZC | 0.9236 |
73 | 338 | 0.9232 |
74 | SU9 | 0.9228 |
75 | 25F | 0.9219 |
76 | 3XL | 0.9218 |
77 | X2L | 0.9216 |
78 | X8E | 0.9215 |
79 | 4L2 | 0.9214 |
80 | 5NN | 0.9209 |
81 | A63 | 0.9206 |
82 | 0H5 | 0.9205 |
83 | WLH | 0.9193 |
84 | 08C | 0.9192 |
85 | 27F | 0.9190 |
86 | DX8 | 0.9186 |
87 | 1Q4 | 0.9184 |
88 | LI7 | 0.9183 |
89 | T5J | 0.9182 |
90 | ESM | 0.9177 |
91 | 34L | 0.9174 |
92 | 6TJ | 0.9164 |
93 | 3GX | 0.9162 |
94 | SDN | 0.9157 |
95 | 6QT | 0.9157 |
96 | 244 | 0.9157 |
97 | FX5 | 0.9152 |
98 | IDZ | 0.9143 |
99 | DX7 | 0.9140 |
100 | D4X | 0.9138 |
101 | 1UZ | 0.9138 |
102 | BER | 0.9138 |
103 | PZB | 0.9132 |
104 | 6XC | 0.9129 |
105 | BL6 | 0.9128 |
106 | XZ1 | 0.9127 |
107 | 8E3 | 0.9127 |
108 | 2QV | 0.9125 |
109 | CUE | 0.9123 |
110 | YJX | 0.9123 |
111 | E6Q | 0.9123 |
112 | SNJ | 0.9121 |
113 | LIG | 0.9119 |
114 | P34 | 0.9117 |
115 | 1V4 | 0.9116 |
116 | F40 | 0.9116 |
117 | MT6 | 0.9115 |
118 | DTQ | 0.9111 |
119 | 7L4 | 0.9110 |
120 | B4L | 0.9107 |
121 | Q11 | 0.9103 |
122 | 196 | 0.9101 |
123 | BL4 | 0.9096 |
124 | 4YF | 0.9094 |
125 | OT4 | 0.9093 |
126 | 6DQ | 0.9089 |
127 | 6QX | 0.9086 |
128 | HBO BGC | 0.9086 |
129 | K8W | 0.9085 |
130 | 91F | 0.9084 |
131 | 1V0 | 0.9084 |
132 | 1AV | 0.9084 |
133 | 1V3 | 0.9082 |
134 | 5EZ | 0.9080 |
135 | 69W | 0.9076 |
136 | 7VF | 0.9075 |
137 | X8I | 0.9073 |
138 | 609 | 0.9073 |
139 | E98 | 0.9072 |
140 | CZ0 | 0.9071 |
141 | 1UR | 0.9071 |
142 | 3WK | 0.9070 |
143 | M16 | 0.9067 |
144 | A64 | 0.9066 |
145 | 6FX | 0.9063 |
146 | 36K | 0.9060 |
147 | 1TJ | 0.9059 |
148 | 553 | 0.9058 |
149 | ECS | 0.9055 |
150 | WST | 0.9055 |
151 | 3WN | 0.9052 |
152 | 3WO | 0.9052 |
153 | D4O | 0.9049 |
154 | GEN | 0.9049 |
155 | 8M5 | 0.9048 |
156 | 4HG | 0.9047 |
157 | YE7 | 0.9045 |
158 | 1HP | 0.9045 |
159 | 4AJ | 0.9042 |
160 | E92 | 0.9041 |
161 | QUG | 0.9041 |
162 | 1UT | 0.9040 |
163 | NKH | 0.9040 |
164 | 5DE | 0.9038 |
165 | 9CE | 0.9035 |
166 | WG8 | 0.9033 |
167 | 39R | 0.9032 |
168 | YEX | 0.9030 |
169 | QS4 | 0.9028 |
170 | X2M | 0.9027 |
171 | OSJ | 0.9027 |
172 | 3DE | 0.9023 |
173 | 22T | 0.9022 |
174 | SLX | 0.9022 |
175 | IDD | 0.9013 |
176 | BL7 | 0.9011 |
177 | 39Z | 0.9009 |
178 | 8E6 | 0.9008 |
179 | NOM | 0.9007 |
180 | Q7U | 0.9007 |
181 | D64 | 0.9007 |
182 | MXM | 0.9005 |
183 | DX2 | 0.9001 |
184 | OPA | 0.9001 |
185 | F36 | 0.9000 |
186 | AOB | 0.8998 |
187 | 43G | 0.8996 |
188 | 3QI | 0.8995 |
189 | 19E | 0.8994 |
190 | 36I | 0.8992 |
191 | 8EC | 0.8990 |
192 | TQ1 | 0.8990 |
193 | 7FZ | 0.8990 |
194 | L6Y | 0.8990 |
195 | INR | 0.8987 |
196 | 5E1 | 0.8985 |
197 | 7EH | 0.8980 |
198 | 4RV | 0.8980 |
199 | 797 | 0.8977 |
200 | 9YD | 0.8976 |
201 | 15Q | 0.8975 |
202 | P4L | 0.8975 |
203 | 6DE | 0.8974 |
204 | 21E | 0.8973 |
205 | GJW | 0.8969 |
206 | 4B8 | 0.8969 |
207 | 35K | 0.8966 |
208 | NYJ | 0.8966 |
209 | 0MB | 0.8964 |
210 | 68C | 0.8962 |
211 | OTA | 0.8960 |
212 | H50 | 0.8959 |
213 | 8SK | 0.8959 |
214 | O53 | 0.8958 |
215 | PJK | 0.8958 |
216 | 5KN | 0.8956 |
217 | 0SX | 0.8955 |
218 | 47X | 0.8954 |
219 | MHB | 0.8953 |
220 | 7FC | 0.8951 |
221 | DEH | 0.8950 |
222 | 658 | 0.8948 |
223 | 4V9 | 0.8947 |
224 | U14 | 0.8946 |
225 | UAY | 0.8946 |
226 | K2C | 0.8945 |
227 | E8Z | 0.8940 |
228 | G2V | 0.8940 |
229 | OAK | 0.8939 |
230 | 272 | 0.8939 |
231 | 9XZ | 0.8935 |
232 | B06 | 0.8932 |
233 | AO | 0.8932 |
234 | 5Z5 | 0.8932 |
235 | RDL | 0.8930 |
236 | DN8 | 0.8926 |
237 | NW1 | 0.8925 |
238 | XEZ | 0.8924 |
239 | PIQ | 0.8923 |
240 | IXM | 0.8923 |
241 | 123 | 0.8921 |
242 | 697 | 0.8921 |
243 | 0O7 | 0.8918 |
244 | CU8 | 0.8916 |
245 | NIF | 0.8914 |
246 | 7A9 | 0.8914 |
247 | 4E2 | 0.8912 |
248 | 3G5 | 0.8910 |
249 | NGV | 0.8909 |
250 | 5E5 | 0.8909 |
251 | FNT | 0.8906 |
252 | L2K | 0.8905 |
253 | 4CN | 0.8904 |
254 | T61 | 0.8902 |
255 | DXK | 0.8902 |
256 | L3L | 0.8901 |
257 | 5ZM | 0.8901 |
258 | 121 | 0.8899 |
259 | 0DF | 0.8899 |
260 | 3Q0 | 0.8898 |
261 | 802 | 0.8897 |
262 | 7M5 | 0.8897 |
263 | IQZ | 0.8896 |
264 | LVY | 0.8896 |
265 | IY5 | 0.8895 |
266 | 4E3 | 0.8894 |
267 | ECZ | 0.8893 |
268 | NPZ | 0.8893 |
269 | 334 | 0.8889 |
270 | BIT | 0.8889 |
271 | J2W | 0.8888 |
272 | 2BE | 0.8888 |
273 | 2V4 | 0.8886 |
274 | T21 | 0.8886 |
275 | 14I | 0.8884 |
276 | 907 | 0.8882 |
277 | GA2 | 0.8881 |
278 | MR4 | 0.8881 |
279 | GPK | 0.8880 |
280 | RHN | 0.8879 |
281 | AIQ | 0.8877 |
282 | IW6 | 0.8877 |
283 | OA4 | 0.8875 |
284 | BMZ | 0.8875 |
285 | 122 | 0.8875 |
286 | EBB | 0.8875 |
287 | ZRL | 0.8875 |
288 | BUN | 0.8874 |
289 | 1YL | 0.8874 |
290 | B7H | 0.8873 |
291 | 01I | 0.8873 |
292 | 3Q1 | 0.8873 |
293 | KS5 | 0.8872 |
294 | M23 | 0.8871 |
295 | AZN | 0.8864 |
296 | 4L6 | 0.8864 |
297 | JTF | 0.8858 |
298 | 7DE | 0.8858 |
299 | IIH | 0.8857 |
300 | 7M2 | 0.8856 |
301 | HRD | 0.8855 |
302 | XYP XYP | 0.8854 |
303 | GNG | 0.8852 |
304 | NVS | 0.8852 |
305 | 4ZF | 0.8849 |
306 | HCC | 0.8849 |
307 | ZZ1 GLA | 0.8846 |
308 | 5XM | 0.8846 |
309 | 4YE | 0.8845 |
310 | 2ZI | 0.8845 |
311 | C4E | 0.8844 |
312 | TVC | 0.8843 |
313 | AP6 | 0.8843 |
314 | 5XL | 0.8842 |
315 | LZ7 | 0.8841 |
316 | Q92 | 0.8840 |
317 | ML2 | 0.8839 |
318 | CMG | 0.8839 |
319 | BK2 | 0.8839 |
320 | 5DN | 0.8838 |
321 | 2OX | 0.8836 |
322 | 801 | 0.8834 |
323 | AJ8 | 0.8833 |
324 | 361 | 0.8830 |
325 | YK9 | 0.8830 |
326 | BGC BGC | 0.8830 |
327 | 29F | 0.8827 |
328 | 1FL | 0.8827 |
329 | UN9 | 0.8827 |
330 | NAB | 0.8826 |
331 | OAL | 0.8826 |
332 | WUL | 0.8825 |
333 | CR4 | 0.8824 |
334 | T34 | 0.8821 |
335 | ML1 | 0.8821 |
336 | 120 | 0.8820 |
337 | EES | 0.8819 |
338 | 205 | 0.8818 |
339 | P2L | 0.8816 |
340 | AXX | 0.8815 |
341 | BU7 | 0.8812 |
342 | LM7 | 0.8811 |
343 | K6N | 0.8810 |
344 | LUM | 0.8809 |
345 | 2PW | 0.8809 |
346 | 245 | 0.8809 |
347 | Y70 | 0.8807 |
348 | 5B2 | 0.8806 |
349 | CK8 | 0.8806 |
350 | GQZ | 0.8805 |
351 | 6XR | 0.8805 |
352 | 6F3 | 0.8803 |
353 | 4K2 | 0.8803 |
354 | LFN | 0.8802 |
355 | UUL | 0.8802 |
356 | 2RB | 0.8801 |
357 | HH6 | 0.8800 |
358 | RF2 | 0.8799 |
359 | 0DJ | 0.8799 |
360 | 76P | 0.8798 |
361 | 06R | 0.8797 |
362 | Q8G | 0.8793 |
363 | GN5 | 0.8792 |
364 | F4U | 0.8792 |
365 | AUG | 0.8791 |
366 | 3CA | 0.8791 |
367 | EMU | 0.8787 |
368 | 3AK | 0.8787 |
369 | 38E | 0.8785 |
370 | 4UB | 0.8785 |
371 | AUE | 0.8785 |
372 | 4KN | 0.8783 |
373 | 5TQ | 0.8781 |
374 | 0HV | 0.8781 |
375 | 4P9 | 0.8778 |
376 | GWD | 0.8778 |
377 | 53X | 0.8777 |
378 | ASE | 0.8777 |
379 | JOH | 0.8776 |
380 | KOM | 0.8776 |
381 | 31F | 0.8775 |
382 | HWH | 0.8775 |
383 | 499 | 0.8775 |
384 | 64F | 0.8775 |
385 | 9X0 | 0.8772 |
386 | 5P3 | 0.8772 |
387 | SQM | 0.8771 |
388 | A05 | 0.8770 |
389 | 6X1 | 0.8770 |
390 | 3Q2 | 0.8768 |
391 | Q8D | 0.8768 |
392 | B2L | 0.8768 |
393 | 3MI | 0.8766 |
394 | W2E | 0.8765 |
395 | U12 | 0.8765 |
396 | MR5 | 0.8765 |
397 | FZB | 0.8765 |
398 | XAV | 0.8764 |
399 | 5E2 | 0.8764 |
400 | JTN | 0.8764 |
401 | FL9 | 0.8763 |
402 | 2AN | 0.8763 |
403 | Q0K | 0.8762 |
404 | CX6 | 0.8760 |
405 | 136 | 0.8759 |
406 | 9ME | 0.8759 |
407 | NXB | 0.8756 |
408 | OSD | 0.8755 |
409 | 52F | 0.8755 |
410 | CUH | 0.8754 |
411 | 0OK | 0.8753 |
412 | 9KQ | 0.8753 |
413 | 1FJ | 0.8752 |
414 | I0G | 0.8752 |
415 | XYS AZI XYS | 0.8751 |
416 | FHI | 0.8748 |
417 | 49J | 0.8748 |
418 | 4R0 | 0.8747 |
419 | II4 | 0.8747 |
420 | ZJB | 0.8746 |
421 | F08 | 0.8745 |
422 | 62D | 0.8745 |
423 | AVX | 0.8745 |
424 | 4VB | 0.8744 |
425 | 362 | 0.8742 |
426 | 2GQ | 0.8742 |
427 | B2E | 0.8741 |
428 | C17 | 0.8740 |
429 | 5ER | 0.8740 |
430 | GKW | 0.8738 |
431 | 517 | 0.8738 |
432 | BIE | 0.8738 |
433 | 47V | 0.8737 |
434 | OSG | 0.8737 |
435 | 6H2 | 0.8736 |
436 | RPB | 0.8735 |
437 | IK1 | 0.8734 |
438 | DLZ | 0.8734 |
439 | 9JT | 0.8734 |
440 | 3D8 | 0.8731 |
441 | 9OF | 0.8731 |
442 | MRE | 0.8730 |
443 | AQN | 0.8729 |
444 | Q20 | 0.8729 |
445 | 2UV | 0.8729 |
446 | HFT | 0.8726 |
447 | EI1 | 0.8724 |
448 | MQS | 0.8723 |
449 | 6WL | 0.8722 |
450 | PE2 | 0.8722 |
451 | OAQ | 0.8722 |
452 | BXS | 0.8721 |
453 | F13 | 0.8719 |
454 | 1K0 | 0.8719 |
455 | 9K2 | 0.8719 |
456 | QNM | 0.8716 |
457 | 2UD | 0.8715 |
458 | PNX | 0.8714 |
459 | ICD | 0.8713 |
460 | NE2 | 0.8712 |
461 | LR2 | 0.8709 |
462 | IPJ | 0.8708 |
463 | LJ5 | 0.8708 |
464 | EZB | 0.8706 |
465 | 8WB | 0.8703 |
466 | TGW | 0.8703 |
467 | CTI | 0.8702 |
468 | M9K | 0.8701 |
469 | 5P7 | 0.8701 |
470 | GLC GLC | 0.8699 |
471 | 0NJ | 0.8698 |
472 | A9B | 0.8698 |
473 | EFX | 0.8697 |
474 | BBP | 0.8697 |
475 | 3WJ | 0.8697 |
476 | BXZ | 0.8696 |
477 | 7G0 | 0.8694 |
478 | EST | 0.8691 |
479 | DHT | 0.8690 |
480 | K4T | 0.8689 |
481 | 58N | 0.8688 |
482 | PCQ | 0.8684 |
483 | EQU | 0.8684 |
484 | FJR | 0.8683 |
485 | 2WF | 0.8682 |
486 | 5WT | 0.8681 |
487 | 35G | 0.8680 |
488 | DMB | 0.8679 |
489 | TNC | 0.8679 |
490 | 5V7 | 0.8678 |
491 | 0NH | 0.8672 |
492 | GAL BGC | 0.8672 |
493 | 8G6 | 0.8672 |
494 | 5YA | 0.8671 |
495 | IYX | 0.8671 |
496 | XYS XYS | 0.8670 |
497 | 3RH | 0.8670 |
498 | 3UG | 0.8670 |
499 | 9N2 | 0.8669 |
500 | KN1 | 0.8669 |
501 | K6B | 0.8667 |
502 | BGC GAL | 0.8663 |
503 | JNW | 0.8663 |
504 | XYS XYP | 0.8660 |
505 | 824 | 0.8659 |
506 | J2Q | 0.8659 |
507 | 1AJ | 0.8658 |
508 | IXE | 0.8658 |
509 | ZAR | 0.8655 |
510 | 090 | 0.8651 |
511 | CK6 | 0.8651 |
512 | 2WU | 0.8649 |
513 | 1DR | 0.8646 |
514 | 4GU | 0.8643 |
515 | 5OR | 0.8642 |
516 | Q5M | 0.8640 |
517 | CFK | 0.8639 |
518 | 6VW | 0.8639 |
519 | EF2 | 0.8639 |
520 | UN4 | 0.8636 |
521 | 4RG | 0.8635 |
522 | J84 | 0.8635 |
523 | YL3 | 0.8631 |
524 | VRV | 0.8631 |
525 | 27M | 0.8631 |
526 | ZRK | 0.8630 |
527 | DY9 | 0.8629 |
528 | ADL | 0.8629 |
529 | MG7 | 0.8628 |
530 | JKN | 0.8627 |
531 | 789 | 0.8627 |
532 | FSU | 0.8626 |
533 | TOL | 0.8622 |
534 | 8HG | 0.8619 |
535 | 8LW | 0.8619 |
536 | SIJ | 0.8618 |
537 | 108 | 0.8616 |
538 | 2JX | 0.8616 |
539 | 61Y | 0.8614 |
540 | T98 | 0.8612 |
541 | X0T | 0.8612 |
542 | P9I | 0.8610 |
543 | VAR | 0.8610 |
544 | YE6 | 0.8610 |
545 | BDE | 0.8608 |
546 | GLC BGC | 0.8607 |
547 | TCW | 0.8605 |
548 | KLV | 0.8605 |
549 | M3F | 0.8605 |
550 | PIT | 0.8604 |
551 | LZJ | 0.8603 |
552 | 785 | 0.8603 |
553 | S98 | 0.8603 |
554 | Q9G | 0.8601 |
555 | FXE | 0.8600 |
556 | LMZ | 0.8598 |
557 | 3RP | 0.8597 |
558 | UQ1 | 0.8596 |
559 | 833 | 0.8596 |
560 | TES | 0.8596 |
561 | ATU | 0.8595 |
562 | 2XY | 0.8595 |
563 | KVW | 0.8594 |
564 | B2X | 0.8594 |
565 | EV2 | 0.8594 |
566 | 4BE | 0.8591 |
567 | CZA | 0.8591 |
568 | FYR | 0.8591 |
569 | 397 | 0.8591 |
570 | 113 | 0.8591 |
571 | 1XS | 0.8588 |
572 | KU1 | 0.8586 |
573 | 1CE | 0.8586 |
574 | EUL | 0.8583 |
575 | 5NB | 0.8581 |
576 | RFZ | 0.8580 |
577 | LWS | 0.8579 |
578 | F18 | 0.8579 |
579 | J3Z | 0.8579 |
580 | LC1 | 0.8576 |
581 | 2FA | 0.8576 |
582 | 28A | 0.8574 |
583 | MR6 | 0.8571 |
584 | QR2 | 0.8571 |
585 | R4E | 0.8571 |
586 | 4QX | 0.8561 |
587 | 135 | 0.8560 |
588 | STL | 0.8559 |
589 | VXP | 0.8556 |
590 | ZTW | 0.8555 |
591 | 2GE | 0.8553 |
592 | GS1 GS1 | 0.8552 |
593 | HFS | 0.8551 |
594 | 5I5 | 0.8550 |
595 | 57U | 0.8542 |
596 | Q4G | 0.8540 |
597 | PNJ | 0.8540 |
598 | 6EL | 0.8539 |
599 | H4B | 0.8537 |
600 | IQQ | 0.8534 |
601 | XEV | 0.8528 |
602 | MBT | 0.8527 |
603 | 4AU | 0.8524 |
604 | BG8 | 0.8508 |
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 |