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- Structure Biounit | Ligand Information
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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 4 families. | |||||
1 | 4C0W | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
2 | 4C0X | - | AQN | C14 H8 O5 S | c1ccc2c(c1.... |
3 | 4C14 | - | FD5 | C42 H54 N9 O21 P S4 | Cc1cc2c(cc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 4C0W | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
2 | 4C0X | - | AQN | C14 H8 O5 S | c1ccc2c(c1.... |
3 | 4C14 | - | FD5 | C42 H54 N9 O21 P S4 | Cc1cc2c(cc.... |
4 | 1T5B | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
5 | 2Z9C | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
6 | 2Z9D | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
7 | 2D5I | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
8 | 2Z98 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
9 | 1V4B | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
10 | 2Z9B | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
11 | 3KEG | - | MRE | C15 H15 N3 O2 | CN(C)c1ccc.... |
12 | 3LT5 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
13 | 4N9Q | - | UQ1 | C14 H18 O4 | CC1=C(C(=O.... |
14 | 2V9C | - | MRE | C15 H15 N3 O2 | CN(C)c1ccc.... |
15 | 4N65 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
16 | 3R6W | - | NFZ | C6 H6 N4 O4 | c1cc(oc1C=.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | FMN | 1 | 1 |
2 | RBF | 0.75641 | 0.876712 |
3 | 9O9 | 0.574468 | 0.934211 |
4 | RS3 | 0.571429 | 0.831169 |
5 | FAD | 0.543307 | 0.876543 |
6 | FAS | 0.543307 | 0.876543 |
7 | FAE | 0.539062 | 0.865854 |
8 | UBG | 0.534351 | 0.888889 |
9 | 5DD | 0.475248 | 0.972603 |
10 | LFN | 0.475 | 0.643836 |
11 | C3F | 0.473684 | 0.74359 |
12 | CF4 | 0.463918 | 0.734177 |
13 | FAY | 0.446043 | 0.864198 |
14 | FNR | 0.444444 | 0.909091 |
15 | RFL | 0.442857 | 0.845238 |
16 | 4LS | 0.411215 | 0.875 |
17 | 1VY | 0.406593 | 0.769231 |
18 | DLZ | 0.404494 | 0.782051 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | AZN | 0.9603 |
2 | RHN | 0.9515 |
3 | QNM | 0.9444 |
4 | KU1 | 0.9348 |
5 | 1EL | 0.9333 |
6 | UN9 | 0.9322 |
7 | FNT | 0.9265 |
8 | 8SK | 0.9240 |
9 | ADL | 0.9235 |
10 | E1K | 0.9181 |
11 | Q0K | 0.9158 |
12 | 5XL | 0.9151 |
13 | OAL | 0.9131 |
14 | SDN | 0.9109 |
15 | CHQ | 0.9083 |
16 | ZSP | 0.9076 |
17 | M3F | 0.9073 |
18 | CX6 | 0.9070 |
19 | 68C | 0.9068 |
20 | 1V4 | 0.9050 |
21 | H4B | 0.9049 |
22 | GEN | 0.9049 |
23 | B2E | 0.9035 |
24 | 1V3 | 0.9032 |
25 | RGK | 0.9020 |
26 | NEO | 0.9018 |
27 | CUE | 0.9010 |
28 | LIG | 0.9009 |
29 | 39Z | 0.9006 |
30 | A05 | 0.9005 |
31 | 1DR | 0.8997 |
32 | GW3 | 0.8995 |
33 | 4HG | 0.8990 |
34 | 3WL | 0.8988 |
35 | NEU | 0.8982 |
36 | 2J1 | 0.8980 |
37 | NYJ | 0.8973 |
38 | OA4 | 0.8970 |
39 | WG8 | 0.8969 |
40 | E6Q | 0.8967 |
41 | EQU | 0.8966 |
42 | DX2 | 0.8961 |
43 | HBI | 0.8958 |
44 | CR4 | 0.8957 |
45 | F40 | 0.8957 |
46 | LC1 | 0.8954 |
47 | WLH | 0.8953 |
48 | AXX | 0.8946 |
49 | AP6 | 0.8943 |
50 | EST | 0.8943 |
51 | BMZ | 0.8941 |
52 | NOM | 0.8929 |
53 | BIH | 0.8927 |
54 | J3Z | 0.8927 |
55 | CDJ | 0.8920 |
56 | 6BK | 0.8918 |
57 | TCR | 0.8918 |
58 | 1QV | 0.8917 |
59 | 6DQ | 0.8917 |
60 | NKI | 0.8917 |
61 | 5M2 | 0.8915 |
62 | NDD | 0.8913 |
63 | S62 | 0.8912 |
64 | 5NN | 0.8912 |
65 | 0OK | 0.8911 |
66 | A8D | 0.8910 |
67 | NRA | 0.8907 |
68 | 5XM | 0.8900 |
69 | YE7 | 0.8899 |
70 | W8L | 0.8894 |
71 | 1YL | 0.8893 |
72 | H2W | 0.8891 |
73 | LFN | 0.8888 |
74 | OTA | 0.8882 |
75 | 4QY | 0.8881 |
76 | BBP | 0.8877 |
77 | H2B | 0.8875 |
78 | 120 | 0.8874 |
79 | 20D | 0.8870 |
80 | E9L | 0.8868 |
81 | 4AB | 0.8866 |
82 | Z3R | 0.8862 |
83 | IQZ | 0.8861 |
84 | 801 | 0.8859 |
85 | 9TF | 0.8859 |
86 | EMO | 0.8858 |
87 | DT7 | 0.8857 |
88 | 3UG | 0.8856 |
89 | 16G | 0.8854 |
90 | 19E | 0.8854 |
91 | OPA | 0.8853 |
92 | 1CE | 0.8853 |
93 | BIO | 0.8852 |
94 | 18E | 0.8850 |
95 | 7L4 | 0.8849 |
96 | 3GX | 0.8848 |
97 | DFL | 0.8836 |
98 | IXM | 0.8832 |
99 | YZ9 | 0.8831 |
100 | DX7 | 0.8831 |
101 | M3W | 0.8825 |
102 | 2WU | 0.8818 |
103 | HFT | 0.8818 |
104 | 121 | 0.8816 |
105 | HRM | 0.8815 |
106 | 40N | 0.8812 |
107 | 6JO | 0.8812 |
108 | P4L | 0.8810 |
109 | 1V1 | 0.8808 |
110 | RSV | 0.8808 |
111 | 3F4 | 0.8806 |
112 | LU2 | 0.8803 |
113 | HRD | 0.8802 |
114 | 272 | 0.8802 |
115 | 6QT | 0.8801 |
116 | NIF | 0.8801 |
117 | AGI | 0.8800 |
118 | IDZ | 0.8800 |
119 | 5XK | 0.8800 |
120 | 5V7 | 0.8798 |
121 | 47X | 0.8797 |
122 | 5WT | 0.8797 |
123 | J1K | 0.8796 |
124 | 124 | 0.8792 |
125 | VT3 | 0.8791 |
126 | 97K | 0.8790 |
127 | DY9 | 0.8790 |
128 | RDT | 0.8790 |
129 | 2GQ | 0.8790 |
130 | 52F | 0.8785 |
131 | 17M | 0.8784 |
132 | 9KZ | 0.8784 |
133 | 2QU | 0.8780 |
134 | BHM | 0.8780 |
135 | 6JM | 0.8780 |
136 | R18 | 0.8773 |
137 | F5C | 0.8771 |
138 | PRL | 0.8770 |
139 | 1TJ | 0.8768 |
140 | SZ5 | 0.8767 |
141 | KMP | 0.8766 |
142 | X0T | 0.8766 |
143 | A73 | 0.8764 |
144 | A63 | 0.8764 |
145 | S98 | 0.8762 |
146 | B61 | 0.8759 |
147 | CG | 0.8758 |
148 | EES | 0.8754 |
149 | 2IP | 0.8754 |
150 | 2AN | 0.8750 |
151 | ECS | 0.8749 |
152 | 6VW | 0.8747 |
153 | CU8 | 0.8745 |
154 | PIQ | 0.8745 |
155 | NPS | 0.8743 |
156 | MQU | 0.8742 |
157 | K7H | 0.8740 |
158 | 25F | 0.8738 |
159 | STR | 0.8736 |
160 | DHT | 0.8736 |
161 | NPX | 0.8734 |
162 | 9CE | 0.8734 |
163 | JVD | 0.8730 |
164 | BRY | 0.8729 |
165 | QUE | 0.8729 |
166 | 57D | 0.8728 |
167 | 5VU | 0.8728 |
168 | 5ER | 0.8727 |
169 | 122 | 0.8727 |
170 | 62D | 0.8724 |
171 | 4CN | 0.8723 |
172 | 08C | 0.8723 |
173 | AO | 0.8722 |
174 | ESR | 0.8721 |
175 | 5WW | 0.8717 |
176 | 3JC | 0.8715 |
177 | TXQ | 0.8713 |
178 | KP2 | 0.8712 |
179 | NG6 | 0.8711 |
180 | CLI | 0.8711 |
181 | MBT | 0.8709 |
182 | 2AX | 0.8706 |
183 | LUM | 0.8706 |
184 | 4AU | 0.8705 |
185 | 338 | 0.8704 |
186 | D9Z | 0.8701 |
187 | DDC | 0.8700 |
188 | 4ZF | 0.8697 |
189 | 517 | 0.8696 |
190 | 0LA | 0.8695 |
191 | BX4 | 0.8693 |
192 | 7EH | 0.8692 |
193 | YEX | 0.8691 |
194 | 1XS | 0.8684 |
195 | TES | 0.8684 |
196 | OLU | 0.8683 |
197 | AOM | 0.8682 |
198 | 109 | 0.8678 |
199 | EAE | 0.8678 |
200 | L3L | 0.8677 |
201 | 1V8 | 0.8676 |
202 | EZL | 0.8676 |
203 | JRO | 0.8671 |
204 | 609 | 0.8671 |
205 | O9Q | 0.8670 |
206 | 22T | 0.8670 |
207 | BA5 | 0.8670 |
208 | WV7 | 0.8668 |
209 | ESM | 0.8667 |
210 | 0SX | 0.8667 |
211 | 9OF | 0.8666 |
212 | X8I | 0.8666 |
213 | YE6 | 0.8666 |
214 | 27F | 0.8664 |
215 | O9T | 0.8663 |
216 | NAR | 0.8663 |
217 | 0DF | 0.8661 |
218 | 5SD | 0.8659 |
219 | 4NR | 0.8659 |
220 | O9Z | 0.8658 |
221 | KLV | 0.8658 |
222 | 789 | 0.8657 |
223 | 6FB | 0.8655 |
224 | Q9T | 0.8654 |
225 | 5SJ | 0.8653 |
226 | 5OR | 0.8653 |
227 | PLO | 0.8649 |
228 | PQQ | 0.8648 |
229 | ITE | 0.8648 |
230 | CC6 | 0.8645 |
231 | 2V4 | 0.8643 |
232 | 1Q4 | 0.8642 |
233 | 26C | 0.8642 |
234 | UQ1 | 0.8640 |
235 | JF8 | 0.8635 |
236 | EAA | 0.8634 |
237 | 0UL | 0.8632 |
238 | MYU | 0.8631 |
239 | 6ZE | 0.8629 |
240 | MRI | 0.8629 |
241 | AOI | 0.8628 |
242 | TRP | 0.8628 |
243 | VUP | 0.8624 |
244 | AX1 | 0.8623 |
245 | AFT | 0.8622 |
246 | LI7 | 0.8619 |
247 | IQW | 0.8617 |
248 | 1R5 | 0.8617 |
249 | E92 | 0.8615 |
250 | HH6 | 0.8613 |
251 | EY2 | 0.8613 |
252 | B52 | 0.8612 |
253 | AOX | 0.8612 |
254 | S60 | 0.8608 |
255 | GNV | 0.8607 |
256 | HNT | 0.8607 |
257 | 1HP | 0.8606 |
258 | 91F | 0.8605 |
259 | 8M5 | 0.8604 |
260 | FSE | 0.8602 |
261 | BGU | 0.8597 |
262 | N0Z | 0.8596 |
263 | EV2 | 0.8596 |
264 | 802 | 0.8594 |
265 | 2QV | 0.8592 |
266 | IDD | 0.8592 |
267 | HUL | 0.8592 |
268 | CZ0 | 0.8590 |
269 | 1V0 | 0.8584 |
270 | AJ1 | 0.8583 |
271 | 4UM | 0.8583 |
272 | GZV | 0.8581 |
273 | ASD | 0.8579 |
274 | E98 | 0.8577 |
275 | L6Y | 0.8577 |
276 | TRU | 0.8575 |
277 | T21 | 0.8573 |
278 | ESZ | 0.8571 |
279 | M5A | 0.8569 |
280 | 5WK | 0.8567 |
281 | 8V8 | 0.8565 |
282 | AJG | 0.8562 |
283 | ESJ | 0.8559 |
284 | 79X | 0.8556 |
285 | B21 | 0.8540 |
286 | Q7U | 0.8538 |
287 | E3U | 0.8537 |
288 | 1UZ | 0.8534 |
289 | 3SU | 0.8530 |
290 | A6W | 0.8521 |
291 | BJ4 | 0.8507 |
This union binding pocket(no: 1) in the query (biounit: 4c0x.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4c0x.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4c0x.bio1) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4c0x.bio1) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |