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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 3 families. | |||||
1 | 2WK6 | Ki = 0.48 mM | IUR | C4 H3 I N2 O2 | C1=C(C(=O).... |
2 | 2J0F | - | TDR | C5 H6 N2 O2 | CC1=CNC(=O.... |
3 | 1UOU | Ki = 20 nM | CMU | C9 H11 Cl N4 O2 | [H]/N=C1/C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4LHM | Ki = 0.68 mM | AZZ | C10 H13 N5 O4 | CC1=CN(C(=.... |
2 | 4YYY | - | URI | C9 H12 N2 O6 | C1=CN(C(=O.... |
3 | 1BRW | - | URA | C4 H4 N2 O2 | C1=CNC(=O).... |
4 | 2WK6 | Ki = 0.48 mM | IUR | C4 H3 I N2 O2 | C1=C(C(=O).... |
5 | 2J0F | - | TDR | C5 H6 N2 O2 | CC1=CNC(=O.... |
6 | 1UOU | Ki = 20 nM | CMU | C9 H11 Cl N4 O2 | [H]/N=C1/C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | CMU | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | CCV | 0.9424 |
2 | 3D8 | 0.9414 |
3 | MUK | 0.9407 |
4 | B4O | 0.9386 |
5 | S3C | 0.9329 |
6 | 54F | 0.9298 |
7 | DBQ | 0.9297 |
8 | BPY | 0.9272 |
9 | 3B4 | 0.9266 |
10 | FWD | 0.9261 |
11 | 56N | 0.9245 |
12 | A4V | 0.9240 |
13 | PW1 | 0.9233 |
14 | NIY | 0.9231 |
15 | 4GU | 0.9226 |
16 | 3Y7 | 0.9216 |
17 | DAH | 0.9213 |
18 | G6P | 0.9210 |
19 | YOF | 0.9208 |
20 | 2LT | 0.9208 |
21 | 9E3 | 0.9205 |
22 | FNA | 0.9197 |
23 | KF5 | 0.9196 |
24 | 7ZL | 0.9195 |
25 | A6H | 0.9194 |
26 | SLY | 0.9191 |
27 | NCV | 0.9189 |
28 | TRP | 0.9180 |
29 | BY5 | 0.9173 |
30 | GXG | 0.9161 |
31 | BG6 | 0.9157 |
32 | AZY | 0.9152 |
33 | MMS | 0.9150 |
34 | CLU | 0.9150 |
35 | 3AK | 0.9138 |
36 | CPW | 0.9138 |
37 | 4WF | 0.9119 |
38 | A1Y | 0.9118 |
39 | DTR | 0.9116 |
40 | BWD | 0.9114 |
41 | CWD | 0.9114 |
42 | GXD | 0.9112 |
43 | C0H | 0.9107 |
44 | EXL | 0.9102 |
45 | 5E4 | 0.9099 |
46 | TH4 | 0.9096 |
47 | TZM | 0.9095 |
48 | IWD | 0.9094 |
49 | 2J5 | 0.9089 |
50 | AJD | 0.9087 |
51 | RE4 | 0.9087 |
52 | 12R | 0.9081 |
53 | AC2 | 0.9078 |
54 | CH8 | 0.9068 |
55 | AM1 | 0.9065 |
56 | PLP | 0.9065 |
57 | TRF | 0.9063 |
58 | FPL | 0.9062 |
59 | 9KH | 0.9060 |
60 | CC5 | 0.9058 |
61 | L21 | 0.9058 |
62 | MXD | 0.9053 |
63 | PMP | 0.9053 |
64 | E9S | 0.9050 |
65 | GA2 | 0.9046 |
66 | OX2 | 0.9046 |
67 | GNW | 0.9040 |
68 | 3QO | 0.9037 |
69 | S0I | 0.9028 |
70 | IYR | 0.9028 |
71 | BC3 | 0.9025 |
72 | EXG | 0.9023 |
73 | LJ4 | 0.9023 |
74 | 9W5 | 0.9021 |
75 | OUB | 0.9020 |
76 | PVK | 0.9020 |
77 | MJ5 | 0.9019 |
78 | HHV | 0.9018 |
79 | PXP | 0.9017 |
80 | PVQ | 0.9015 |
81 | M4B | 0.9011 |
82 | SA0 | 0.9010 |
83 | AMQ | 0.9005 |
84 | AKD | 0.8993 |
85 | B1T | 0.8991 |
86 | THM | 0.8988 |
87 | DBS | 0.8978 |
88 | 9PL | 0.8975 |
89 | XQI | 0.8974 |
90 | 0QW | 0.8973 |
91 | ID8 | 0.8972 |
92 | FUZ | 0.8972 |
93 | ABF | 0.8971 |
94 | TLF | 0.8970 |
95 | 5AD | 0.8969 |
96 | PLR | 0.8967 |
97 | 7NU | 0.8965 |
98 | GZV | 0.8964 |
99 | 6J9 | 0.8964 |
100 | 2KU | 0.8962 |
101 | M02 | 0.8962 |
102 | SV4 | 0.8960 |
103 | 4OG | 0.8959 |
104 | TOH | 0.8955 |
105 | 0OP | 0.8953 |
106 | RNK | 0.8952 |
107 | IM4 | 0.8952 |
108 | 9F8 | 0.8951 |
109 | 1U7 | 0.8949 |
110 | 69K | 0.8949 |
111 | N2Y | 0.8947 |
112 | HBI | 0.8945 |
113 | 3IL | 0.8944 |
114 | 6J3 | 0.8944 |
115 | LTN | 0.8943 |
116 | RGG | 0.8939 |
117 | H35 | 0.8938 |
118 | HPT | 0.8938 |
119 | D8Y | 0.8934 |
120 | TLM | 0.8930 |
121 | BGP | 0.8924 |
122 | HO6 | 0.8920 |
123 | W8G | 0.8920 |
124 | ZYW | 0.8920 |
125 | 5JT | 0.8919 |
126 | 50Q | 0.8915 |
127 | 848 | 0.8914 |
128 | 1ZC | 0.8914 |
129 | ZEZ | 0.8914 |
130 | DCZ | 0.8913 |
131 | CGW | 0.8911 |
132 | H4B | 0.8911 |
133 | 6HP | 0.8910 |
134 | BP6 | 0.8908 |
135 | 2LX | 0.8905 |
136 | CTN | 0.8905 |
137 | NWD | 0.8901 |
138 | CHQ | 0.8901 |
139 | PIR | 0.8900 |
140 | ITW | 0.8900 |
141 | 4Z9 | 0.8900 |
142 | 96Z | 0.8898 |
143 | 33S | 0.8893 |
144 | ARP | 0.8889 |
145 | XIF XYP | 0.8886 |
146 | OA1 | 0.8883 |
147 | 9B3 | 0.8883 |
148 | ZYV | 0.8880 |
149 | A7M | 0.8879 |
150 | MPP | 0.8878 |
151 | 3DT | 0.8871 |
152 | HJH | 0.8870 |
153 | 5MD | 0.8866 |
154 | VJJ | 0.8866 |
155 | BRH | 0.8866 |
156 | CTE | 0.8866 |
157 | NPL | 0.8866 |
158 | 88R | 0.8862 |
159 | KYN | 0.8861 |
160 | 5I5 | 0.8859 |
161 | JA3 | 0.8858 |
162 | 3IP | 0.8858 |
163 | URI | 0.8858 |
164 | TCL | 0.8857 |
165 | PYU | 0.8856 |
166 | P2L | 0.8856 |
167 | CL9 | 0.8855 |
168 | XFE | 0.8855 |
169 | ONZ | 0.8855 |
170 | 6HO | 0.8851 |
171 | LLT | 0.8849 |
172 | 2FD | 0.8846 |
173 | DUR | 0.8846 |
174 | GNG | 0.8845 |
175 | LSQ | 0.8844 |
176 | EXR | 0.8843 |
177 | F5C | 0.8842 |
178 | XYP XIF | 0.8841 |
179 | 11X | 0.8834 |
180 | 4R1 | 0.8828 |
181 | 9UL | 0.8828 |
182 | OSB | 0.8826 |
183 | 3D1 | 0.8824 |
184 | X04 | 0.8824 |
185 | BZQ | 0.8822 |
186 | F52 | 0.8816 |
187 | B5A | 0.8814 |
188 | DNB | 0.8814 |
189 | RVE | 0.8811 |
190 | EZN | 0.8810 |
191 | AOY | 0.8809 |
192 | 4GP | 0.8809 |
193 | TCC | 0.8808 |
194 | 3VW | 0.8808 |
195 | WL3 | 0.8805 |
196 | NFK | 0.8805 |
197 | FB4 | 0.8804 |
198 | A9O | 0.8801 |
199 | ADN | 0.8800 |
200 | 5UD | 0.8800 |
201 | 536 | 0.8800 |
202 | DTE | 0.8799 |
203 | ZIQ | 0.8797 |
204 | 5F1 | 0.8794 |
205 | DJL | 0.8794 |
206 | 22L | 0.8789 |
207 | S2P | 0.8788 |
208 | 6Q3 | 0.8786 |
209 | 8OB | 0.8778 |
210 | 2K8 | 0.8776 |
211 | AX8 | 0.8776 |
212 | J47 | 0.8776 |
213 | 1BN | 0.8776 |
214 | HWD | 0.8774 |
215 | SQP | 0.8774 |
216 | MOK | 0.8773 |
217 | PZP | 0.8764 |
218 | V15 | 0.8761 |
219 | 0GA | 0.8760 |
220 | MBP | 0.8759 |
221 | 5AV | 0.8758 |
222 | 8P3 | 0.8757 |
223 | TR7 | 0.8757 |
224 | 145 | 0.8757 |
225 | CUH | 0.8756 |
226 | HX8 | 0.8753 |
227 | DCN | 0.8753 |
228 | 6NZ | 0.8752 |
229 | H2B | 0.8749 |
230 | M01 | 0.8749 |
231 | 505 | 0.8747 |
232 | BIE | 0.8744 |
233 | MDR | 0.8742 |
234 | NOS | 0.8742 |
235 | SBK | 0.8740 |
236 | QUB | 0.8739 |
237 | W29 | 0.8736 |
238 | IMH | 0.8733 |
239 | EVO | 0.8732 |
240 | 531 | 0.8732 |
241 | GZ2 | 0.8727 |
242 | YIH | 0.8726 |
243 | 5O5 | 0.8726 |
244 | AQ1 | 0.8725 |
245 | 78U | 0.8721 |
246 | 4FP | 0.8721 |
247 | B23 | 0.8721 |
248 | RK4 | 0.8720 |
249 | HMD | 0.8719 |
250 | 4Z1 | 0.8709 |
251 | IMQ | 0.8709 |
252 | 2VQ | 0.8708 |
253 | MJW | 0.8706 |
254 | QUS | 0.8704 |
255 | XTS | 0.8702 |
256 | TOM | 0.8698 |
257 | 9GP | 0.8691 |
258 | 4P8 | 0.8689 |
259 | XI7 | 0.8688 |
260 | PPY | 0.8685 |
261 | 3M8 | 0.8683 |
262 | 8OE | 0.8683 |
263 | NAL | 0.8680 |
264 | NTF | 0.8680 |
265 | I2E | 0.8679 |
266 | FMB | 0.8679 |
267 | C53 | 0.8675 |
268 | N1Y | 0.8674 |
269 | EQW | 0.8674 |
270 | B21 | 0.8672 |
271 | 7QS | 0.8669 |
272 | LI4 | 0.8668 |
273 | B86 | 0.8667 |
274 | JRB | 0.8665 |
275 | SX3 | 0.8664 |
276 | 7Q1 | 0.8664 |
277 | CR1 | 0.8662 |
278 | 2FA | 0.8660 |
279 | IWH | 0.8655 |
280 | CE2 | 0.8654 |
281 | PUR | 0.8653 |
282 | U19 | 0.8651 |
283 | CJZ | 0.8651 |
284 | TBN | 0.8650 |
285 | 61M | 0.8649 |
286 | Q9P | 0.8648 |
287 | 4Y2 | 0.8643 |
288 | IBM | 0.8642 |
289 | F6R | 0.8638 |
290 | MQB | 0.8615 |
291 | 0OL | 0.8614 |
292 | MCY | 0.8613 |
293 | 17C | 0.8610 |
294 | AOJ | 0.8610 |
295 | E9P | 0.8610 |
296 | XYA | 0.8610 |
297 | GMP | 0.8607 |
298 | N9J | 0.8601 |
299 | 2M8 | 0.8600 |
300 | XYS XYS | 0.8600 |
301 | B41 | 0.8597 |
302 | HVE | 0.8596 |
303 | NIP | 0.8593 |
304 | 2DL | 0.8592 |
305 | CDY | 0.8583 |
306 | 8VR | 0.8576 |
307 | APS | 0.8575 |
308 | 1VQ | 0.8568 |
309 | FMC | 0.8563 |
310 | TSR | 0.8557 |
311 | TMG | 0.8554 |
312 | EYJ | 0.8547 |
313 | DE3 | 0.8544 |
314 | 2B4 | 0.8540 |
315 | FC3 | 0.8539 |
316 | 3GC | 0.8539 |
317 | 4AB | 0.8528 |
318 | 7UZ | 0.8527 |
319 | SHI | 0.8522 |
This union binding pocket(no: 1) in the query (biounit: 1uou.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1uou.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |