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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 21 families. | |||||
1 | 3SUT | Ki = 0.014 uM | OAN | C15 H19 N3 O7 | CC(=O)N[C@.... |
2 | 3SUV | - | NOK | C8 H16 N2 O4 | CC(=O)N[C@.... |
3 | 3SUU | Ki = 0.003 uM | OGN | C15 H19 N3 O7 | CC(=O)N[C@.... |
4 | 3GH7 | - | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
5 | 3SUR | Ki = 70 uM | NGT | C8 H13 N O4 S | CC1=N[C@@H.... |
6 | 3SUS | Ki = 71 uM | GNL | C8 H13 N O4 S | CC1=N[C@@H.... |
7 | 3SUW | Ki = 20 uM | GC2 | C10 H18 N2 O4 | CC(=O)N[C@.... |
8 | 3GH5 | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 16 families. | |||||
1 | 1JAK | Ki = 2.7 uM | IFG | C8 H16 N2 O4 | CC(=O)N[C@.... |
2 | 1M01 | Kd = 3 mM | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
3 | 5FCZ | Ki = 68 uM | TNX | C8 H13 N O4 S | CC(=S)NC1=.... |
4 | 1HP5 | - | NGT | C8 H13 N O4 S | CC1=N[C@@H.... |
5 | 5FD0 | Ki = 2.4 uM | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
6 | 4C7F | - | GC2 | C10 H18 N2 O4 | CC(=O)N[C@.... |
7 | 1M04 | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
8 | 4C7G | - | NGO | C8 H14 N O5 | CC1=[NH+][.... |
9 | 1M03 | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
10 | 3SUT | Ki = 0.014 uM | OAN | C15 H19 N3 O7 | CC(=O)N[C@.... |
11 | 3SUV | - | NOK | C8 H16 N2 O4 | CC(=O)N[C@.... |
12 | 3SUU | Ki = 0.003 uM | OGN | C15 H19 N3 O7 | CC(=O)N[C@.... |
13 | 3GH7 | - | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
14 | 3SUR | Ki = 70 uM | NGT | C8 H13 N O4 S | CC1=N[C@@H.... |
15 | 3SUS | Ki = 71 uM | GNL | C8 H13 N O4 S | CC1=N[C@@H.... |
16 | 3SUW | Ki = 20 uM | GC2 | C10 H18 N2 O4 | CC(=O)N[C@.... |
17 | 3GH5 | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | NAG | 0.9985 |
2 | NDG | 0.9780 |
3 | GDL | 0.9718 |
4 | TNX | 0.9689 |
5 | NGW | 0.9551 |
6 | NGT | 0.9511 |
7 | BEU | 0.9501 |
8 | A2G | 0.9445 |
9 | BM3 | 0.9427 |
10 | 57O | 0.9399 |
11 | BNX | 0.9389 |
12 | IFG | 0.9383 |
13 | EPR | 0.9370 |
14 | ALX | 0.9363 |
15 | 9H2 | 0.9363 |
16 | NGA | 0.9360 |
17 | MQG | 0.9354 |
18 | GC2 | 0.9331 |
19 | LOG | 0.9306 |
20 | 86L | 0.9303 |
21 | SNG | 0.9299 |
22 | OQC | 0.9295 |
23 | K82 | 0.9281 |
24 | 3VX | 0.9277 |
25 | GC3 | 0.9270 |
26 | NGO | 0.9254 |
27 | 2F8 | 0.9230 |
28 | 8NX | 0.9221 |
29 | 8NB | 0.9205 |
30 | 3XR | 0.9178 |
31 | NHT | 0.9170 |
32 | GZQ | 0.9166 |
33 | GF4 | 0.9165 |
34 | 61M | 0.9151 |
35 | HHT | 0.9149 |
36 | ZZZ | 0.9149 |
37 | J6W | 0.9145 |
38 | IAC | 0.9133 |
39 | MAG | 0.9128 |
40 | 3N1 | 0.9125 |
41 | ST2 | 0.9118 |
42 | 12T | 0.9113 |
43 | 9R5 | 0.9109 |
44 | YTX | 0.9106 |
45 | BGN | 0.9095 |
46 | NLA | 0.9089 |
47 | GJP | 0.9086 |
48 | 3C4 | 0.9084 |
49 | CH8 | 0.9080 |
50 | 9KH | 0.9080 |
51 | GCU | 0.9080 |
52 | YI6 | 0.9080 |
53 | BBK | 0.9077 |
54 | BDP | 0.9074 |
55 | NB1 | 0.9073 |
56 | 0FN | 0.9070 |
57 | 4HP | 0.9062 |
58 | PMP | 0.9061 |
59 | PHE | 0.9061 |
60 | 54Z | 0.9055 |
61 | 4RU | 0.9052 |
62 | 6FZ | 0.9045 |
63 | LIP | 0.9035 |
64 | NSG | 0.9033 |
65 | 2FX | 0.9031 |
66 | NFM | 0.9028 |
67 | NOJ | 0.9019 |
68 | 5FN | 0.9018 |
69 | S0G | 0.9012 |
70 | TYL | 0.9001 |
71 | ZPF | 0.9000 |
72 | JTH | 0.9000 |
73 | 5OF | 0.8998 |
74 | MS9 | 0.8997 |
75 | PLP | 0.8995 |
76 | 42J | 0.8993 |
77 | MJ5 | 0.8985 |
78 | I3E | 0.8985 |
79 | BPY | 0.8985 |
80 | 27B | 0.8983 |
81 | TYE | 0.8980 |
82 | PQZ | 0.8980 |
83 | DHY | 0.8973 |
84 | 5OO | 0.8972 |
85 | MUR | 0.8972 |
86 | 2BX | 0.8972 |
87 | LDP | 0.8972 |
88 | 3DM | 0.8970 |
89 | F5C | 0.8960 |
90 | ICB | 0.8955 |
91 | MD6 | 0.8954 |
92 | AAN | 0.8954 |
93 | CFA | 0.8954 |
94 | 15N | 0.8953 |
95 | 4AA | 0.8952 |
96 | IFL | 0.8948 |
97 | LCN | 0.8946 |
98 | TSR | 0.8944 |
99 | ST3 | 0.8943 |
100 | S8A | 0.8943 |
101 | 92P | 0.8943 |
102 | GLC | 0.8942 |
103 | 9BF | 0.8940 |
104 | GNL | 0.8938 |
105 | BGC | 0.8936 |
106 | ARP | 0.8934 |
107 | 14W | 0.8934 |
108 | NOY | 0.8932 |
109 | 1FD | 0.8930 |
110 | QMS | 0.8929 |
111 | 8WO | 0.8928 |
112 | EE8 | 0.8926 |
113 | G6P | 0.8922 |
114 | EYV | 0.8921 |
115 | AES | 0.8917 |
116 | K3Q | 0.8913 |
117 | BCU | 0.8908 |
118 | AMH | 0.8908 |
119 | SYE | 0.8908 |
120 | APS | 0.8901 |
121 | 0JD | 0.8899 |
122 | 4NS | 0.8897 |
123 | ASO | 0.8895 |
124 | PFL | 0.8894 |
125 | IOP | 0.8889 |
126 | FPL | 0.8889 |
127 | 2K8 | 0.8888 |
128 | PA1 | 0.8885 |
129 | 6HP | 0.8884 |
130 | 657 | 0.8883 |
131 | MAJ | 0.8883 |
132 | N4E | 0.8876 |
133 | H4B | 0.8876 |
134 | UA5 | 0.8875 |
135 | MNM | 0.8875 |
136 | S24 | 0.8874 |
137 | 9ZE | 0.8872 |
138 | A7N | 0.8872 |
139 | PYU | 0.8871 |
140 | 8ZE | 0.8870 |
141 | G2F | 0.8862 |
142 | M3Q | 0.8859 |
143 | R9Y | 0.8859 |
144 | 0LH | 0.8859 |
145 | AEG | 0.8857 |
146 | IOS | 0.8857 |
147 | ODO | 0.8854 |
148 | TMG | 0.8854 |
149 | DVQ | 0.8846 |
150 | C53 | 0.8840 |
151 | MQB | 0.8839 |
152 | 2BG | 0.8839 |
153 | K4V | 0.8835 |
154 | LGC | 0.8834 |
155 | 88L | 0.8832 |
156 | N3W | 0.8832 |
157 | H7Y | 0.8831 |
158 | CLU | 0.8829 |
159 | VXX | 0.8826 |
160 | F69 | 0.8825 |
161 | 4A5 | 0.8825 |
162 | JF1 | 0.8824 |
163 | NVU | 0.8824 |
164 | GLO | 0.8823 |
165 | LNR | 0.8823 |
166 | 2CL | 0.8822 |
167 | R9S | 0.8819 |
168 | GCS | 0.8817 |
169 | 948 | 0.8816 |
170 | NBG | 0.8816 |
171 | RH1 | 0.8815 |
172 | GLP | 0.8814 |
173 | AX3 | 0.8813 |
174 | GAL | 0.8811 |
175 | YRL | 0.8810 |
176 | OKM | 0.8809 |
177 | VOH | 0.8806 |
178 | 94B | 0.8806 |
179 | MP5 | 0.8803 |
180 | 327 | 0.8802 |
181 | EVA | 0.8802 |
182 | AEF | 0.8796 |
183 | AEH | 0.8796 |
184 | KP6 | 0.8793 |
185 | AVO | 0.8791 |
186 | MMS | 0.8791 |
187 | 8W9 | 0.8791 |
188 | YX1 | 0.8788 |
189 | STZ | 0.8788 |
190 | ALE | 0.8788 |
191 | S7G | 0.8786 |
192 | 8U3 | 0.8785 |
193 | GWM | 0.8783 |
194 | MPP | 0.8782 |
195 | SOE | 0.8782 |
196 | HA5 | 0.8779 |
197 | 6DP | 0.8778 |
198 | 2UB | 0.8776 |
199 | HNT | 0.8774 |
200 | X1P | 0.8773 |
201 | PPN | 0.8771 |
202 | NPA | 0.8771 |
203 | OMD | 0.8771 |
204 | GLF | 0.8770 |
205 | Z13 | 0.8770 |
206 | MS0 | 0.8769 |
207 | N2I | 0.8769 |
208 | G3F | 0.8767 |
209 | RVE | 0.8763 |
210 | MR1 | 0.8762 |
211 | I2E | 0.8760 |
212 | SHG | 0.8759 |
213 | F1X | 0.8753 |
214 | GCB | 0.8752 |
215 | AFR | 0.8751 |
216 | TAG | 0.8749 |
217 | PLR | 0.8748 |
218 | L21 | 0.8748 |
219 | GSY | 0.8748 |
220 | FTV | 0.8747 |
221 | PXM | 0.8746 |
222 | 4R1 | 0.8746 |
223 | PW1 | 0.8746 |
224 | 3LJ | 0.8744 |
225 | ZON | 0.8740 |
226 | HDL | 0.8739 |
227 | G1P | 0.8737 |
228 | STT | 0.8737 |
229 | R1P | 0.8733 |
230 | 2AL | 0.8731 |
231 | CN0 | 0.8730 |
232 | FER | 0.8728 |
233 | BG6 | 0.8726 |
234 | 2A9 | 0.8724 |
235 | A5P | 0.8723 |
236 | GLA | 0.8721 |
237 | MNP | 0.8717 |
238 | 8MP | 0.8716 |
239 | EMZ | 0.8716 |
240 | IPD | 0.8715 |
241 | 1CY | 0.8713 |
242 | DAH | 0.8712 |
243 | SBK | 0.8712 |
244 | HWD | 0.8712 |
245 | FRU | 0.8710 |
246 | DEE | 0.8709 |
247 | 3MG | 0.8708 |
248 | L1Q | 0.8707 |
249 | FWD | 0.8707 |
250 | 0FK | 0.8707 |
251 | HDH | 0.8705 |
252 | 2FY | 0.8703 |
253 | 2QC | 0.8701 |
254 | 2HC | 0.8700 |
255 | EOL | 0.8699 |
256 | TSS | 0.8698 |
257 | ASC | 0.8697 |
258 | 4FA | 0.8697 |
259 | ZXD | 0.8694 |
260 | 2GS | 0.8694 |
261 | PRZ | 0.8694 |
262 | 505 | 0.8693 |
263 | CS2 | 0.8693 |
264 | TZM | 0.8692 |
265 | ABF | 0.8691 |
266 | HJ7 | 0.8691 |
267 | LYL | 0.8690 |
268 | MTL | 0.8689 |
269 | HHH | 0.8686 |
270 | ISD | 0.8681 |
271 | DTR | 0.8675 |
272 | ICT | 0.8672 |
273 | L46 | 0.8672 |
274 | X0W | 0.8669 |
275 | A6P | 0.8666 |
276 | GCV | 0.8655 |
277 | CIT | 0.8655 |
278 | PXP | 0.8651 |
279 | X09 | 0.8648 |
280 | HPT | 0.8648 |
281 | FLC | 0.8647 |
282 | 97T | 0.8646 |
283 | CP7 | 0.8645 |
284 | BMA | 0.8643 |
285 | SOR | 0.8639 |
286 | FUD | 0.8639 |
287 | P7Y | 0.8638 |
288 | E1P | 0.8636 |
289 | HQ9 | 0.8635 |
290 | F6P | 0.8634 |
291 | 7QD | 0.8632 |
292 | 3RI | 0.8628 |
293 | RBJ | 0.8626 |
294 | 4JE | 0.8618 |
295 | 293 | 0.8618 |
296 | BL0 | 0.8613 |
297 | OA3 | 0.8611 |
298 | 5SP | 0.8609 |
299 | 0QW | 0.8606 |
300 | 2O8 | 0.8599 |
301 | GXY | 0.8598 |
302 | SQV | 0.8587 |
303 | S3C | 0.8587 |
304 | CTS | 0.8585 |
305 | 7MX | 0.8584 |
306 | 3TC | 0.8583 |
307 | HSX | 0.8580 |
308 | 5WZ | 0.8575 |
309 | RKN | 0.8573 |
310 | BY5 | 0.8570 |
311 | SDF | 0.8569 |
312 | 6Q3 | 0.8567 |
313 | TLM | 0.8567 |
314 | KDG | 0.8567 |
315 | A3M | 0.8564 |
316 | DEZ | 0.8563 |
317 | ZYX | 0.8560 |
318 | 1HN | 0.8555 |
319 | 3W6 | 0.8551 |
320 | 3W3 | 0.8551 |
321 | EN1 | 0.8533 |
322 | ZB1 | 0.8515 |
323 | TLG | 0.8509 |
This union binding pocket(no: 1) in the query (biounit: 3sut.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |