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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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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 25 families. | |||||
1 | 6O5J | - | LM7 | C14 H9 N3 O5 | c1ccc2c(c1.... |
2 | 6AP6 | Kd = 4.3 uM | TLF | C14 H12 Cl N O2 | Cc1c(cccc1.... |
3 | 6AP7 | Kd = 4.6 uM | BNY | C14 H12 N2 O4 | Cc1c(cccc1.... |
4 | 6AP8 | Kd = 8 uM | BNY | C14 H12 N2 O4 | Cc1c(cccc1.... |
5 | 3WIO | - | H3M | C5 H6 O3 | CC1=C[C@@H.... |
6 | 5YZ7 | - | 94X | C12 H13 Br O3 | C/C(=C/[C@.... |
7 | 5DJ5 | ic50 = 2.5 uM | GR2 | C17 H14 O5 | CC1=C[C@@H.... |
8 | 6BRT | - | H3M | C5 H6 O3 | CC1=C[C@@H.... |
9 | 4JYM | - | KKN | C8 H6 O3 | CC1=C2C=CO.... |
10 | 5DNU | Kd = 77.6 uM | KKN | C8 H6 O3 | CC1=C2C=CO.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 22 families. | |||||
1 | 6O5J | - | LM7 | C14 H9 N3 O5 | c1ccc2c(c1.... |
2 | 6AP6 | Kd = 4.3 uM | TLF | C14 H12 Cl N O2 | Cc1c(cccc1.... |
3 | 6AP7 | Kd = 4.6 uM | BNY | C14 H12 N2 O4 | Cc1c(cccc1.... |
4 | 6AP8 | Kd = 8 uM | BNY | C14 H12 N2 O4 | Cc1c(cccc1.... |
5 | 3WIO | - | H3M | C5 H6 O3 | CC1=C[C@@H.... |
6 | 5YZ7 | - | 94X | C12 H13 Br O3 | C/C(=C/[C@.... |
7 | 5DJ5 | ic50 = 2.5 uM | GR2 | C17 H14 O5 | CC1=C[C@@H.... |
8 | 6BRT | - | H3M | C5 H6 O3 | CC1=C[C@@H.... |
9 | 4JYM | - | KKN | C8 H6 O3 | CC1=C2C=CO.... |
10 | 5DNU | Kd = 77.6 uM | KKN | C8 H6 O3 | CC1=C2C=CO.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | TLF | 1 | 1 |
2 | ID8 | 0.622642 | 0.833333 |
3 | 17C | 0.6 | 0.727273 |
4 | 644 | 0.538462 | 0.685714 |
5 | 6J3 | 0.516129 | 0.783784 |
6 | EH6 | 0.516129 | 0.903226 |
7 | 683 | 0.5 | 0.757576 |
8 | CJZ | 0.5 | 0.823529 |
9 | JMS | 0.491803 | 0.966667 |
10 | OFL | 0.465517 | 0.764706 |
11 | P2C | 0.460317 | 0.717949 |
12 | EHO | 0.454545 | 0.827586 |
13 | EHR | 0.435484 | 0.8 |
14 | EHU | 0.434783 | 0.878788 |
15 | 8S3 | 0.410959 | 0.630435 |
16 | ZZ8 | 0.407407 | 0.676471 |
17 | EHC | 0.405063 | 0.636364 |
18 | 5E4 | 0.403226 | 0.9 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 3B4 | 0.9608 |
2 | BNY | 0.9575 |
3 | AKD | 0.9426 |
4 | AJD | 0.9402 |
5 | 6EN | 0.9385 |
6 | AYS | 0.9296 |
7 | 5JT | 0.9275 |
8 | 6PB | 0.9241 |
9 | 2GD | 0.9205 |
10 | 145 | 0.9198 |
11 | U19 | 0.9183 |
12 | 2LX | 0.9175 |
13 | W29 | 0.9175 |
14 | 4GU | 0.9166 |
15 | 3Y7 | 0.9161 |
16 | M01 | 0.9160 |
17 | 5P3 | 0.9117 |
18 | XZ8 | 0.9105 |
19 | H70 | 0.9100 |
20 | BBY | 0.9099 |
21 | XYP XIF | 0.9097 |
22 | ZYV | 0.9091 |
23 | QZ8 | 0.9082 |
24 | BQ5 | 0.9080 |
25 | PBQ | 0.9079 |
26 | 3WO | 0.9065 |
27 | 3WN | 0.9065 |
28 | BP3 | 0.9055 |
29 | FHI | 0.9049 |
30 | P9I | 0.9048 |
31 | XIF XYP | 0.9048 |
32 | ZYW | 0.9046 |
33 | 8UY | 0.9045 |
34 | SLY | 0.9041 |
35 | ELH | 0.9027 |
36 | 3WJ | 0.9026 |
37 | TH4 | 0.9025 |
38 | 25O | 0.9024 |
39 | DIF | 0.9020 |
40 | XYP XDN | 0.9020 |
41 | C0H | 0.9018 |
42 | M02 | 0.9016 |
43 | 6J9 | 0.9012 |
44 | EVO | 0.9007 |
45 | Z16 | 0.8988 |
46 | AUV | 0.8987 |
47 | WVV | 0.8978 |
48 | TCC | 0.8971 |
49 | 43U | 0.8970 |
50 | CMU | 0.8970 |
51 | SA0 | 0.8969 |
52 | 64I | 0.8969 |
53 | MXD | 0.8968 |
54 | 4K2 | 0.8968 |
55 | XYP XYP | 0.8968 |
56 | 43S | 0.8965 |
57 | AVX | 0.8963 |
58 | XIL | 0.8961 |
59 | XDL XYP | 0.8961 |
60 | 53X | 0.8961 |
61 | FMB | 0.8960 |
62 | 3D8 | 0.8956 |
63 | A7K | 0.8956 |
64 | SOV | 0.8953 |
65 | 3AK | 0.8952 |
66 | WUB | 0.8950 |
67 | XDN XYP | 0.8950 |
68 | 7L4 | 0.8950 |
69 | FLF | 0.8945 |
70 | 7ZL | 0.8943 |
71 | WOE | 0.8943 |
72 | SQP | 0.8939 |
73 | ADN | 0.8934 |
74 | TBN | 0.8925 |
75 | UA2 | 0.8924 |
76 | ZME | 0.8922 |
77 | ABJ | 0.8920 |
78 | FUB FUB | 0.8918 |
79 | XYP AHR | 0.8914 |
80 | BGC OXZ | 0.8910 |
81 | 9CE | 0.8909 |
82 | 1FL | 0.8909 |
83 | 6GR | 0.8901 |
84 | HO4 | 0.8900 |
85 | B4O | 0.8899 |
86 | ISX | 0.8895 |
87 | LUR | 0.8894 |
88 | Q4G | 0.8894 |
89 | 5I5 | 0.8893 |
90 | DXK | 0.8890 |
91 | X11 | 0.8889 |
92 | CQW | 0.8889 |
93 | NE2 | 0.8888 |
94 | 12R | 0.8885 |
95 | BPY | 0.8883 |
96 | M3E | 0.8879 |
97 | EAJ | 0.8879 |
98 | KWB | 0.8878 |
99 | BZE | 0.8877 |
100 | B2T | 0.8876 |
101 | F40 | 0.8872 |
102 | L5D | 0.8872 |
103 | P4L | 0.8871 |
104 | 4F8 | 0.8869 |
105 | NPZ | 0.8869 |
106 | DS8 | 0.8864 |
107 | B4L | 0.8864 |
108 | IQQ | 0.8863 |
109 | IMH | 0.8862 |
110 | 0FS | 0.8862 |
111 | IMQ | 0.8862 |
112 | XYP XYS | 0.8858 |
113 | 3CA | 0.8855 |
114 | LJ3 | 0.8854 |
115 | 56N | 0.8854 |
116 | A3Q | 0.8853 |
117 | SNI | 0.8848 |
118 | XEV | 0.8847 |
119 | NCV | 0.8847 |
120 | 5V7 | 0.8846 |
121 | K3Y | 0.8845 |
122 | 8HH | 0.8843 |
123 | FNA | 0.8843 |
124 | GAL PHB | 0.8840 |
125 | 1SF | 0.8838 |
126 | 27M | 0.8837 |
127 | 5AD | 0.8833 |
128 | XFE | 0.8831 |
129 | NOC | 0.8827 |
130 | ARJ | 0.8827 |
131 | 9MR | 0.8827 |
132 | WCU | 0.8825 |
133 | FMC | 0.8825 |
134 | AHR FUB | 0.8821 |
135 | 5N5 | 0.8818 |
136 | NFK | 0.8816 |
137 | PCQ | 0.8811 |
138 | NOS | 0.8809 |
139 | ACE TRP | 0.8807 |
140 | CUT | 0.8805 |
141 | H7S | 0.8802 |
142 | XYS XYS | 0.8801 |
143 | 9PL | 0.8801 |
144 | IKY | 0.8798 |
145 | H35 | 0.8796 |
146 | OSB | 0.8795 |
147 | DBQ | 0.8794 |
148 | 28A | 0.8788 |
149 | JNW | 0.8785 |
150 | Q2R | 0.8785 |
151 | 636 | 0.8780 |
152 | P2L | 0.8780 |
153 | DGO Z61 | 0.8773 |
154 | GAT | 0.8772 |
155 | MUK | 0.8772 |
156 | MEX | 0.8771 |
157 | DBS | 0.8770 |
158 | 1DA | 0.8769 |
159 | 9F8 | 0.8768 |
160 | IFM BGC | 0.8768 |
161 | CC5 | 0.8766 |
162 | LI4 | 0.8764 |
163 | HA6 | 0.8762 |
164 | B21 | 0.8762 |
165 | 9FN | 0.8761 |
166 | KF5 | 0.8757 |
167 | 78P | 0.8754 |
168 | JD7 | 0.8753 |
169 | 3WK | 0.8753 |
170 | NU3 | 0.8752 |
171 | X29 | 0.8752 |
172 | I0D | 0.8752 |
173 | AB3 | 0.8751 |
174 | 2LT | 0.8750 |
175 | MHB | 0.8749 |
176 | 26C | 0.8746 |
177 | 3RP | 0.8746 |
178 | OX2 | 0.8746 |
179 | MHD GAL | 0.8745 |
180 | 5P7 | 0.8744 |
181 | L3L | 0.8742 |
182 | Z15 | 0.8738 |
183 | 5F8 | 0.8735 |
184 | 1ZC | 0.8735 |
185 | 4E5 | 0.8735 |
186 | Z57 | 0.8733 |
187 | LL1 | 0.8733 |
188 | 38B | 0.8733 |
189 | JFS | 0.8731 |
190 | 5FL | 0.8728 |
191 | SGV | 0.8728 |
192 | MUR | 0.8724 |
193 | 7NU | 0.8721 |
194 | CFK | 0.8721 |
195 | XYS XYP | 0.8720 |
196 | VAL VAL | 0.8718 |
197 | 2NJ | 0.8717 |
198 | BGC BGC | 0.8716 |
199 | 2KU | 0.8714 |
200 | 96R | 0.8713 |
201 | 3L1 | 0.8712 |
202 | QC1 | 0.8711 |
203 | 9DI | 0.8711 |
204 | N8Z | 0.8710 |
205 | 4L2 | 0.8708 |
206 | SZ5 | 0.8708 |
207 | 4GP | 0.8707 |
208 | JF8 | 0.8705 |
209 | MFR | 0.8701 |
210 | L21 | 0.8700 |
211 | RGK | 0.8699 |
212 | Z2T | 0.8697 |
213 | 6NZ | 0.8695 |
214 | 3F4 | 0.8695 |
215 | 2JM | 0.8694 |
216 | BXZ | 0.8694 |
217 | A3K | 0.8692 |
218 | DFL | 0.8691 |
219 | 55D | 0.8691 |
220 | 25F | 0.8690 |
221 | MR6 | 0.8689 |
222 | RVE | 0.8684 |
223 | F9W | 0.8684 |
224 | AUY | 0.8683 |
225 | 36Z | 0.8683 |
226 | O9Q | 0.8683 |
227 | 3AD | 0.8682 |
228 | 3GX | 0.8680 |
229 | 5NN | 0.8680 |
230 | ZRK | 0.8680 |
231 | 67Y | 0.8678 |
232 | AZC | 0.8678 |
233 | C0W | 0.8678 |
234 | 1ER | 0.8677 |
235 | YE6 | 0.8675 |
236 | 57D | 0.8675 |
237 | FUC GAL | 0.8669 |
238 | 20D | 0.8664 |
239 | AVA | 0.8661 |
240 | 8G6 | 0.8661 |
241 | SQM | 0.8660 |
242 | CMG | 0.8659 |
243 | RGG | 0.8658 |
244 | 1V1 | 0.8658 |
245 | DSQ | 0.8658 |
246 | IMB | 0.8653 |
247 | A73 | 0.8652 |
248 | ZRL | 0.8652 |
249 | SQ4 | 0.8649 |
250 | IFM BMA | 0.8647 |
251 | MBY | 0.8645 |
252 | UN4 | 0.8638 |
253 | FTU | 0.8638 |
254 | XYA | 0.8636 |
255 | LLT | 0.8635 |
256 | 0RY | 0.8634 |
257 | WS6 | 0.8630 |
258 | JSX | 0.8625 |
259 | VT3 | 0.8623 |
260 | S1D | 0.8623 |
261 | NYJ | 0.8621 |
262 | 6GP | 0.8621 |
263 | LWS | 0.8620 |
264 | 5S9 | 0.8619 |
265 | 3YQ | 0.8615 |
266 | AH3 | 0.8613 |
267 | NIR | 0.8612 |
268 | IMK | 0.8609 |
269 | 1Z8 | 0.8606 |
270 | M0Y | 0.8605 |
271 | 54X | 0.8604 |
272 | NQ7 | 0.8600 |
273 | JGB | 0.8598 |
274 | KCH | 0.8597 |
275 | 7D7 | 0.8596 |
276 | X6P | 0.8596 |
277 | GLC GAL | 0.8594 |
278 | 5B2 | 0.8592 |
279 | LDC | 0.8586 |
280 | DNQ | 0.8584 |
281 | U4J | 0.8579 |
282 | 6ZW | 0.8573 |
283 | 2GE | 0.8570 |
284 | 3JC | 0.8568 |
285 | 1KN | 0.8567 |
286 | EMU | 0.8566 |
287 | CK1 | 0.8560 |
288 | SX3 | 0.8557 |
289 | CK2 | 0.8554 |
290 | VAO | 0.8550 |
291 | BGC GAL | 0.8548 |
292 | TIA | 0.8547 |
293 | CUH | 0.8545 |
294 | NTF | 0.8529 |
295 | JR2 | 0.8514 |
This union binding pocket(no: 1) in the query (biounit: 6ap6.bio2) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6ap6.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |