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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 1331 families. | |||||
1 | 6UDI | ic50 = 0.3 nM | Q4S | C36 H47 Cl N4 O7 S | CN1CC/C=C/.... |
2 | 6OQB | Ki = 0.00004 uM | N0J | C32 H39 Cl N2 O5 S | CC[C@@H]1C.... |
3 | 6QZ5 | - | JLE | C25 H22 N4 O2 S | CCc1c(c2c(.... |
4 | 6QYP | - | JL5 | C29 H31 Cl N4 O4 S | CCc1c(c2c(.... |
5 | 6O6F | ic50 = 0.04 uM | LOD | C23 H24 Cl N O3 | c1cc2c(cc1.... |
6 | 6QZ6 | - | JLE | C25 H22 N4 O2 S | CCc1c(c2c(.... |
7 | 6UDX | ic50 = 10 nM | Q57 | C25 H28 Cl N O4 | c1cc2c(cc1.... |
8 | 5IF4 | Ki < 1 nM | 6AK | C39 H39 Cl2 N5 O4 | Cc1cc(cc(c.... |
9 | 6U65 | Ki = 0.77 uM | Q0A | C26 H28 F N3 O4 S2 | c1ccc(cc1).... |
10 | 6O6G | ic50 = 0.3 uM | LOJ | C21 H21 Cl2 N O3 | c1cc2c(cc1.... |
11 | 6B4U | Ki = 21 nM | CN7 | C35 H36 N2 O4 | Cc1ccccc1c.... |
12 | 4WMR | - | 865 | C37 H36 N6 O4 | Cc1ccnc(c1.... |
13 | 6OQD | Ki = 0.00014 uM | N0M | C31 H39 Cl N2 O5 S | C[C@@H]1CC.... |
14 | 6UDT | ic50 = 0.6 nM | Q4V | C33 H39 Cl N2 O6 | CN1CC/C=C/.... |
15 | 6UD2 | ic50 = 0.3 nM | Q4D | C40 H52 Cl F2 N5 O7 S | CN1CC/C=C/.... |
16 | 4OQ6 | ic50 = 3.3 uM | 2UV | C16 H16 O3 | CCCc1ccc(c.... |
17 | 6NE5 | Ki = 0.058 nM | KJP | C39 H39 Cl2 N5 O4 | Cc1cc(cc(c.... |
18 | 6UDY | ic50 = 27 nM | Q54 | C24 H26 Cl N O3 | c1cc2c(cc1.... |
19 | 3WIY | ic50 = 0.61 uM | LC6 | C47 H46 N6 O8 S2 | Cc1cc(ccc1.... |
20 | 5VKC | - | 9EA | C46 H46 N6 O5 | Cc1c(c(nn1.... |
21 | 6QZ8 | - | JL8 | C24 H21 Cl N2 O4 S | CCc1c(c2c(.... |
22 | 6P3P | ic50 = 0.145 uM | NQJ | C23 H20 Cl F3 N2 O5 S2 | Cc1cc(sc1S.... |
23 | 6U67 | Ki = 0.95 uM | Q01 | C30 H36 N4 O5 S2 | CC(C)(C)c1.... |
24 | 5FC4 | Ki = 231 nM | 5WL | C23 H21 Cl N2 O4 S | CS(=O)(=O).... |
25 | 6QFQ | - | J3E | C27 H25 N3 O3 | Cc1c(c(n[n.... |
26 | 6OQC | Ki = 0.00005 uM | N0S | C31 H37 Cl N2 O5 S | C[C@@H]1CC.... |
27 | 6YBG | Ki = 13 nM | OJT | C36 H36 Cl2 N4 O5 S | Cc1c(ccc(c.... |
28 | 6OQN | ic50 = 0.01 uM | N0P | C26 H31 Cl N2 O5 S | c1cc2c3cc1.... |
29 | 6FS1 | Kd = 0.098 uM | E4Q | C34 H35 N5 O3 S | Cc1cc(nn1C.... |
30 | 3WIX | ic50 = 0.54 uM | LC3 | C28 H22 N2 O5 | c1ccc2c(c1.... |
31 | 6B4L | Ki = 0.34 uM | CJY | C22 H19 N O3 | c1ccc2c(c1.... |
32 | 4HW3 | Ki = 0.32 uM | 19G | C20 H19 Cl O3 S | Cc1cc(cc(c.... |
33 | 5KU9 | ic50 = 1.49 uM | 6XJ | C33 H36 Br Cl2 N5 O4 | CNC(=O)C[C.... |
34 | 4ZBI | Ki = 0.31 uM | 4M6 | C25 H23 N O3 | c1ccc2c(c1.... |
35 | 6UDU | ic50 = 1.7 nM | Q4Y | C30 H35 Cl N2 O5 | CN1C/C=C/C.... |
36 | 6UDV | Ki = 0.051 nM | Q51 | C32 H39 Cl N2 O5 S | C[C@H]1C/C.... |
37 | 6QZB | - | JLK | C24 H23 N3 O2 S | CCc1c(c2c(.... |
38 | 4ZBF | Ki = 0.074 uM | 4M7 | C25 H23 N O4 S | c1ccc2c(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 6UDI | ic50 = 0.3 nM | Q4S | C36 H47 Cl N4 O7 S | CN1CC/C=C/.... |
2 | 6OQB | Ki = 0.00004 uM | N0J | C32 H39 Cl N2 O5 S | CC[C@@H]1C.... |
3 | 6QZ5 | - | JLE | C25 H22 N4 O2 S | CCc1c(c2c(.... |
4 | 6QYP | - | JL5 | C29 H31 Cl N4 O4 S | CCc1c(c2c(.... |
5 | 6O6F | ic50 = 0.04 uM | LOD | C23 H24 Cl N O3 | c1cc2c(cc1.... |
6 | 6QZ6 | - | JLE | C25 H22 N4 O2 S | CCc1c(c2c(.... |
7 | 6UDX | ic50 = 10 nM | Q57 | C25 H28 Cl N O4 | c1cc2c(cc1.... |
8 | 5IF4 | Ki < 1 nM | 6AK | C39 H39 Cl2 N5 O4 | Cc1cc(cc(c.... |
9 | 6U65 | Ki = 0.77 uM | Q0A | C26 H28 F N3 O4 S2 | c1ccc(cc1).... |
10 | 6O6G | ic50 = 0.3 uM | LOJ | C21 H21 Cl2 N O3 | c1cc2c(cc1.... |
11 | 6B4U | Ki = 21 nM | CN7 | C35 H36 N2 O4 | Cc1ccccc1c.... |
12 | 4WMR | - | 865 | C37 H36 N6 O4 | Cc1ccnc(c1.... |
13 | 6OQD | Ki = 0.00014 uM | N0M | C31 H39 Cl N2 O5 S | C[C@@H]1CC.... |
14 | 6UDT | ic50 = 0.6 nM | Q4V | C33 H39 Cl N2 O6 | CN1CC/C=C/.... |
15 | 6UD2 | ic50 = 0.3 nM | Q4D | C40 H52 Cl F2 N5 O7 S | CN1CC/C=C/.... |
16 | 4OQ6 | ic50 = 3.3 uM | 2UV | C16 H16 O3 | CCCc1ccc(c.... |
17 | 6NE5 | Ki = 0.058 nM | KJP | C39 H39 Cl2 N5 O4 | Cc1cc(cc(c.... |
18 | 6UDY | ic50 = 27 nM | Q54 | C24 H26 Cl N O3 | c1cc2c(cc1.... |
19 | 3WIY | ic50 = 0.61 uM | LC6 | C47 H46 N6 O8 S2 | Cc1cc(ccc1.... |
20 | 5VKC | - | 9EA | C46 H46 N6 O5 | Cc1c(c(nn1.... |
21 | 6QZ8 | - | JL8 | C24 H21 Cl N2 O4 S | CCc1c(c2c(.... |
22 | 6P3P | ic50 = 0.145 uM | NQJ | C23 H20 Cl F3 N2 O5 S2 | Cc1cc(sc1S.... |
23 | 6U67 | Ki = 0.95 uM | Q01 | C30 H36 N4 O5 S2 | CC(C)(C)c1.... |
24 | 5FC4 | Ki = 231 nM | 5WL | C23 H21 Cl N2 O4 S | CS(=O)(=O).... |
25 | 6QFQ | - | J3E | C27 H25 N3 O3 | Cc1c(c(n[n.... |
26 | 6OQC | Ki = 0.00005 uM | N0S | C31 H37 Cl N2 O5 S | C[C@@H]1CC.... |
27 | 6YBG | Ki = 13 nM | OJT | C36 H36 Cl2 N4 O5 S | Cc1c(ccc(c.... |
28 | 6OQN | ic50 = 0.01 uM | N0P | C26 H31 Cl N2 O5 S | c1cc2c3cc1.... |
29 | 6FS1 | Kd = 0.098 uM | E4Q | C34 H35 N5 O3 S | Cc1cc(nn1C.... |
30 | 3WIX | ic50 = 0.54 uM | LC3 | C28 H22 N2 O5 | c1ccc2c(c1.... |
31 | 6B4L | Ki = 0.34 uM | CJY | C22 H19 N O3 | c1ccc2c(c1.... |
32 | 4HW3 | Ki = 0.32 uM | 19G | C20 H19 Cl O3 S | Cc1cc(cc(c.... |
33 | 5KU9 | ic50 = 1.49 uM | 6XJ | C33 H36 Br Cl2 N5 O4 | CNC(=O)C[C.... |
34 | 4ZBI | Ki = 0.31 uM | 4M6 | C25 H23 N O3 | c1ccc2c(c1.... |
35 | 6UDU | ic50 = 1.7 nM | Q4Y | C30 H35 Cl N2 O5 | CN1C/C=C/C.... |
36 | 6UDV | Ki = 0.051 nM | Q51 | C32 H39 Cl N2 O5 S | C[C@H]1C/C.... |
37 | 6QZB | - | JLK | C24 H23 N3 O2 S | CCc1c(c2c(.... |
38 | 4ZBF | Ki = 0.074 uM | 4M7 | C25 H23 N O4 S | c1ccc2c(c1.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GVI | 0.9514 |
2 | GA6 | 0.9306 |
3 | 5YA | 0.9293 |
4 | 5WW | 0.9287 |
5 | TVZ | 0.9280 |
6 | M16 | 0.9244 |
7 | W2E | 0.9229 |
8 | 91F | 0.9228 |
9 | S1C | 0.9223 |
10 | 27F | 0.9223 |
11 | F08 | 0.9222 |
12 | 6T5 | 0.9203 |
13 | O53 | 0.9201 |
14 | 5TU | 0.9193 |
15 | U4J | 0.9191 |
16 | OSY | 0.9180 |
17 | A64 | 0.9174 |
18 | CDJ | 0.9171 |
19 | 1V0 | 0.9164 |
20 | 1UW | 0.9159 |
21 | 1UZ | 0.9157 |
22 | W8L | 0.9150 |
23 | ZEA | 0.9147 |
24 | 1HP | 0.9137 |
25 | Q92 | 0.9136 |
26 | 08C | 0.9134 |
27 | A63 | 0.9130 |
28 | 2ZI | 0.9128 |
29 | JFS | 0.9125 |
30 | 72G | 0.9116 |
31 | F36 | 0.9114 |
32 | H2W | 0.9113 |
33 | TVC | 0.9105 |
34 | NU3 | 0.9104 |
35 | DFL | 0.9095 |
36 | A73 | 0.9094 |
37 | L43 | 0.9092 |
38 | 121 | 0.9092 |
39 | XAV | 0.9088 |
40 | Z8R | 0.9086 |
41 | RGK | 0.9086 |
42 | IY5 | 0.9086 |
43 | 1UT | 0.9086 |
44 | E9L | 0.9085 |
45 | AGI | 0.9084 |
46 | 25F | 0.9083 |
47 | O9Z | 0.9082 |
48 | 1UR | 0.9078 |
49 | A6Z | 0.9074 |
50 | FBC | 0.9068 |
51 | NKI | 0.9066 |
52 | 1V1 | 0.9063 |
53 | 31F | 0.9059 |
54 | VBC | 0.9056 |
55 | JL7 | 0.9055 |
56 | 06R | 0.9051 |
57 | WLH | 0.9050 |
58 | VT3 | 0.9049 |
59 | S1D | 0.9044 |
60 | SZ5 | 0.9039 |
61 | M3W | 0.9038 |
62 | 1Q1 | 0.9037 |
63 | 29F | 0.9037 |
64 | 3F4 | 0.9037 |
65 | 20D | 0.9032 |
66 | U13 | 0.9030 |
67 | 6JP | 0.9028 |
68 | A9E | 0.9007 |
69 | NAR | 0.9007 |
70 | 32F | 0.9003 |
71 | 72H | 0.9002 |
72 | CR4 | 0.8997 |
73 | 801 | 0.8990 |
74 | MRE | 0.8967 |
75 | F18 | 0.8967 |
76 | BMZ | 0.8965 |
77 | O9T | 0.8959 |
78 | 4ZF | 0.8959 |
79 | DFV | 0.8955 |
80 | 338 | 0.8949 |
81 | BO1 | 0.8948 |
82 | 802 | 0.8946 |
83 | 8UY | 0.8945 |
84 | J8D | 0.8944 |
85 | BJ4 | 0.8942 |
86 | CWE | 0.8942 |
87 | P34 | 0.8938 |
88 | 1VG | 0.8936 |
89 | PNG | 0.8935 |
90 | MR4 | 0.8932 |
91 | N5B | 0.8932 |
92 | FHI | 0.8930 |
93 | A05 | 0.8929 |
94 | 6H2 | 0.8927 |
95 | GN5 | 0.8926 |
96 | KHP | 0.8922 |
97 | BX4 | 0.8921 |
98 | 124 | 0.8920 |
99 | 57U | 0.8920 |
100 | WG8 | 0.8919 |
101 | LU2 | 0.8907 |
102 | PNW | 0.8907 |
103 | PW8 | 0.8905 |
104 | B7H | 0.8903 |
105 | 123 | 0.8902 |
106 | HH6 | 0.8899 |
107 | 6BK | 0.8896 |
108 | RNP | 0.8893 |
109 | KMP | 0.8893 |
110 | 3K1 | 0.8892 |
111 | 97K | 0.8892 |
112 | 1V8 | 0.8891 |
113 | 122 | 0.8885 |
114 | ECZ | 0.8883 |
115 | A26 | 0.8883 |
116 | OAQ | 0.8882 |
117 | MR5 | 0.8879 |
118 | IDZ | 0.8878 |
119 | 697 | 0.8878 |
120 | AWE | 0.8876 |
121 | B4L | 0.8875 |
122 | IPJ | 0.8873 |
123 | 6ZE | 0.8871 |
124 | SNP | 0.8870 |
125 | 272 | 0.8868 |
126 | 4RG | 0.8868 |
127 | 5B2 | 0.8866 |
128 | 5ZM | 0.8865 |
129 | 9C8 | 0.8862 |
130 | YI1 | 0.8862 |
131 | T5J | 0.8862 |
132 | 0K7 | 0.8859 |
133 | 3TI | 0.8852 |
134 | A9B | 0.8851 |
135 | 120 | 0.8848 |
136 | SGW | 0.8844 |
137 | X2L | 0.8844 |
138 | CVF | 0.8843 |
139 | NZ4 | 0.8842 |
140 | PIQ | 0.8841 |
141 | 88S | 0.8841 |
142 | U1T | 0.8837 |
143 | G2V | 0.8832 |
144 | KWV | 0.8829 |
145 | 7G2 | 0.8827 |
146 | 1SF | 0.8821 |
147 | 5NN | 0.8821 |
148 | 334 | 0.8818 |
149 | Q2S | 0.8815 |
150 | GF7 | 0.8810 |
151 | 1Q2 | 0.8806 |
152 | 3GX | 0.8803 |
153 | 0DF | 0.8801 |
154 | Q0K | 0.8800 |
155 | 2QU | 0.8800 |
156 | 3JD | 0.8798 |
157 | 5E5 | 0.8797 |
158 | 3N0 | 0.8797 |
159 | HV4 | 0.8794 |
160 | 9JT | 0.8794 |
161 | 53N | 0.8794 |
162 | 147 | 0.8792 |
163 | F70 | 0.8790 |
164 | LZ7 | 0.8790 |
165 | 0XR | 0.8789 |
166 | 907 | 0.8788 |
167 | HCC | 0.8788 |
168 | OQR | 0.8784 |
169 | 68C | 0.8783 |
170 | H32 | 0.8778 |
171 | 245 | 0.8778 |
172 | L2K | 0.8776 |
173 | PNJ | 0.8771 |
174 | EEY | 0.8769 |
175 | SJR | 0.8768 |
176 | 57D | 0.8767 |
177 | 28A | 0.8766 |
178 | AO | 0.8764 |
179 | A5H | 0.8764 |
180 | DX8 | 0.8763 |
181 | XYP XYP | 0.8761 |
182 | 0NJ | 0.8759 |
183 | 9B2 | 0.8756 |
184 | OSJ | 0.8751 |
185 | GEN | 0.8749 |
186 | BZH | 0.8748 |
187 | BVS | 0.8742 |
188 | SAK | 0.8741 |
189 | F40 | 0.8740 |
190 | EMU | 0.8738 |
191 | 1XS | 0.8736 |
192 | 2QV | 0.8734 |
193 | 5FL | 0.8734 |
194 | OT4 | 0.8734 |
195 | 5P3 | 0.8732 |
196 | C4E | 0.8732 |
197 | JKN | 0.8731 |
198 | J45 | 0.8730 |
199 | 0LA | 0.8730 |
200 | 4P9 | 0.8729 |
201 | QUE | 0.8729 |
202 | ISX | 0.8721 |
203 | AD6 | 0.8719 |
204 | 7FZ | 0.8718 |
205 | IIH | 0.8718 |
206 | 3JC | 0.8717 |
207 | 5F8 | 0.8716 |
208 | 3WL | 0.8716 |
209 | C0V | 0.8712 |
210 | QR2 | 0.8711 |
211 | 8E3 | 0.8711 |
212 | 1SX | 0.8702 |
213 | 797 | 0.8698 |
214 | 4YE | 0.8698 |
215 | 0SY | 0.8697 |
216 | KWK | 0.8696 |
217 | 27M | 0.8696 |
218 | DL6 | 0.8695 |
219 | 6JM | 0.8692 |
220 | 9CE | 0.8689 |
221 | OSD | 0.8688 |
222 | U14 | 0.8686 |
223 | 28B | 0.8682 |
224 | 7FC | 0.8679 |
225 | 397 | 0.8674 |
226 | 8M5 | 0.8674 |
227 | 0H5 | 0.8673 |
228 | HWB | 0.8673 |
229 | 7L4 | 0.8670 |
230 | NE2 | 0.8668 |
231 | 3D8 | 0.8665 |
232 | 041 | 0.8663 |
233 | IQW | 0.8657 |
234 | 2P3 | 0.8657 |
235 | 4GU | 0.8656 |
236 | WDW | 0.8655 |
237 | DXK | 0.8654 |
238 | 5TT | 0.8653 |
239 | YE7 | 0.8652 |
240 | LZ4 | 0.8645 |
241 | R4E | 0.8643 |
242 | 0DJ | 0.8640 |
243 | HRD | 0.8639 |
244 | RPB | 0.8638 |
245 | WA2 | 0.8638 |
246 | 8G6 | 0.8638 |
247 | 4NR | 0.8637 |
248 | H35 | 0.8634 |
249 | P4L | 0.8628 |
250 | BBP | 0.8627 |
251 | 47V | 0.8626 |
252 | DDC | 0.8626 |
253 | 65W | 0.8620 |
254 | ZRK | 0.8618 |
255 | 7EH | 0.8617 |
256 | 4KN | 0.8616 |
257 | CMG | 0.8615 |
258 | 4AU | 0.8611 |
259 | T98 | 0.8607 |
260 | MBT | 0.8603 |
261 | JTE | 0.8600 |
262 | JTK | 0.8600 |
263 | S98 | 0.8597 |
264 | 6TJ | 0.8593 |
265 | 1FE | 0.8590 |
266 | 9PP | 0.8587 |
267 | 2WU | 0.8586 |
268 | ZRL | 0.8584 |
269 | SIJ | 0.8584 |
270 | 4FF | 0.8579 |
271 | AP6 | 0.8571 |
272 | OSG | 0.8568 |
273 | S16 | 0.8568 |
274 | AU6 | 0.8564 |
275 | GAL NPO | 0.8556 |
276 | C3G | 0.8546 |
277 | BUX | 0.8546 |
278 | MT6 | 0.8542 |
279 | 1Q4 | 0.8541 |
280 | QDR | 0.8539 |
281 | NVS | 0.8537 |
282 | 15I | 0.8533 |
283 | NNF | 0.8531 |
284 | LR2 | 0.8517 |
285 | HDI | 0.8511 |
This union binding pocket(no: 1) in the query (biounit: 6oqb.bio2) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6oqb.bio2) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 6oqb.bio1) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |