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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 | 6PD7 | Kd = 290 uM | OAJ | C21 H20 N2 O5 | Cc1cc(ccc1.... |
2 | 6PBI | Kd = 365 uM | O6Y | C20 H20 N2 O3 | Cc1cc(ccc1.... |
3 | 6PVZ | Kd = 341 uM | OZM | C17 H14 O3 | c1ccc(cc1).... |
4 | 6PLI | Kd = 230 uM | ONY | C22 H22 N4 O3 | Cc1cc(ccc1.... |
5 | 6PML | Kd = 820 uM | OR4 | C17 H14 O4 | c1ccc(cc1).... |
6 | 6PDH | Kd = 62 uM | OAV | C23 H24 N4 O2 | CCN(CCn1cc.... |
7 | 6BR4 | - | 60L | C12 H13 N S | CNCc1cccc(.... |
8 | 4ZIJ | Kd = 565 uM | SFQ | C13 H10 I N O4 S | c1ccc(c(c1.... |
9 | 6PMF | - | LD9 | C16 H13 N O3 | c1ccc(cc1).... |
10 | 4WF4 | Kd = 777 uM | WF4 | C12 H8 F3 N O2 S | Cc1c(sc(n1.... |
11 | 6WHD | Kd = 490 uM | KFS | C16 H13 N O3 | Cc1cc(ccc1.... |
12 | 4WET | Kd = 444 uM | WEF | C21 H17 F3 N2 O4 S | Cc1c(sc(n1.... |
13 | 6PGJ | - | OAJ | C21 H20 N2 O5 | Cc1cc(ccc1.... |
14 | 6PC9 | Kd = 480 uM | O7P | C21 H21 N3 O3 | Cc1cc(ccc1.... |
15 | 6POQ | Kd = 2700 uM | OVJ | C17 H15 N O4 | COc1ccc(cc.... |
16 | 6BQX | - | 9AG | C14 H15 N O | CNCc1ccc(c.... |
17 | 4WF5 | Kd = 777 uM | WF4 | C12 H8 F3 N O2 S | Cc1c(sc(n1.... |
18 | 6PG1 | - | O7P | C21 H21 N3 O3 | Cc1cc(ccc1.... |
19 | 6PIQ | - | OAV | C23 H24 N4 O2 | CCN(CCn1cc.... |
20 | 6POI | Kd = 326 uM | OVS | C16 H12 O4 | c1ccc(cc1).... |
21 | 6PG2 | - | O6Y | C20 H20 N2 O3 | Cc1cc(ccc1.... |
22 | 6PVY | Kd = 639 uM | OZG | C17 H14 O5 | COc1cccc(c.... |
23 | 4WEY | Kd = 318 uM | EG6 | C15 H13 F3 N2 O4 S | Cc1c(sc(n1.... |
24 | 6POH | Kd = 1970 uM | OVG | C14 H16 O4 | CCCCOc1ccc.... |
25 | 4OD7 | - | ACE PRO TRP ALA THR CYS ASP SER NH2 | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 6PD7 | Kd = 290 uM | OAJ | C21 H20 N2 O5 | Cc1cc(ccc1.... |
2 | 6PBI | Kd = 365 uM | O6Y | C20 H20 N2 O3 | Cc1cc(ccc1.... |
3 | 6PVZ | Kd = 341 uM | OZM | C17 H14 O3 | c1ccc(cc1).... |
4 | 6PLI | Kd = 230 uM | ONY | C22 H22 N4 O3 | Cc1cc(ccc1.... |
5 | 6PML | Kd = 820 uM | OR4 | C17 H14 O4 | c1ccc(cc1).... |
6 | 6PDH | Kd = 62 uM | OAV | C23 H24 N4 O2 | CCN(CCn1cc.... |
7 | 6BR4 | - | 60L | C12 H13 N S | CNCc1cccc(.... |
8 | 4ZIJ | Kd = 565 uM | SFQ | C13 H10 I N O4 S | c1ccc(c(c1.... |
9 | 6PMF | - | LD9 | C16 H13 N O3 | c1ccc(cc1).... |
10 | 4WF4 | Kd = 777 uM | WF4 | C12 H8 F3 N O2 S | Cc1c(sc(n1.... |
11 | 6WHD | Kd = 490 uM | KFS | C16 H13 N O3 | Cc1cc(ccc1.... |
12 | 4WET | Kd = 444 uM | WEF | C21 H17 F3 N2 O4 S | Cc1c(sc(n1.... |
13 | 6PGJ | - | OAJ | C21 H20 N2 O5 | Cc1cc(ccc1.... |
14 | 6PC9 | Kd = 480 uM | O7P | C21 H21 N3 O3 | Cc1cc(ccc1.... |
15 | 6POQ | Kd = 2700 uM | OVJ | C17 H15 N O4 | COc1ccc(cc.... |
16 | 6BQX | - | 9AG | C14 H15 N O | CNCc1ccc(c.... |
17 | 4WF5 | Kd = 777 uM | WF4 | C12 H8 F3 N O2 S | Cc1c(sc(n1.... |
18 | 6PG1 | - | O7P | C21 H21 N3 O3 | Cc1cc(ccc1.... |
19 | 6PIQ | - | OAV | C23 H24 N4 O2 | CCN(CCn1cc.... |
20 | 6POI | Kd = 326 uM | OVS | C16 H12 O4 | c1ccc(cc1).... |
21 | 6PG2 | - | O6Y | C20 H20 N2 O3 | Cc1cc(ccc1.... |
22 | 6PVY | Kd = 639 uM | OZG | C17 H14 O5 | COc1cccc(c.... |
23 | 4WEY | Kd = 318 uM | EG6 | C15 H13 F3 N2 O4 S | Cc1c(sc(n1.... |
24 | 6POH | Kd = 1970 uM | OVG | C14 H16 O4 | CCCCOc1ccc.... |
25 | 4OD7 | - | ACE PRO TRP ALA THR CYS ASP SER NH2 | n/a | n/a |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | D2G | 0.9586 |
2 | AVA | 0.9566 |
3 | 5F8 | 0.9493 |
4 | D1G | 0.9478 |
5 | V2Z | 0.9459 |
6 | VM1 | 0.9448 |
7 | 5F5 | 0.9422 |
8 | X6W | 0.9419 |
9 | D3G | 0.9418 |
10 | LEL | 0.9411 |
11 | U7E | 0.9405 |
12 | 795 | 0.9401 |
13 | AED | 0.9370 |
14 | 5FL | 0.9366 |
15 | 0LO | 0.9362 |
16 | 0NX | 0.9339 |
17 | MMJ | 0.9314 |
18 | LNN | 0.9304 |
19 | EWG | 0.9285 |
20 | R20 | 0.9279 |
21 | HQJ | 0.9275 |
22 | G14 | 0.9257 |
23 | 492 | 0.9242 |
24 | RKV | 0.9239 |
25 | 7O4 | 0.9235 |
26 | L5V | 0.9229 |
27 | AJG | 0.9226 |
28 | VXX | 0.9224 |
29 | 6NZ | 0.9217 |
30 | 1FE | 0.9201 |
31 | 0F9 | 0.9199 |
32 | Q4G | 0.9196 |
33 | 49P | 0.9189 |
34 | A98 | 0.9187 |
35 | VBC | 0.9183 |
36 | K48 | 0.9180 |
37 | LFQ | 0.9179 |
38 | BVS | 0.9169 |
39 | S1D | 0.9159 |
40 | L1T | 0.9159 |
41 | AJ1 | 0.9159 |
42 | OKM | 0.9151 |
43 | XDK | 0.9148 |
44 | RA7 | 0.9140 |
45 | IQ5 | 0.9135 |
46 | NK5 | 0.9125 |
47 | 8CC | 0.9123 |
48 | JSX | 0.9122 |
49 | PUE | 0.9117 |
50 | 5TZ | 0.9113 |
51 | 363 | 0.9111 |
52 | BZE | 0.9110 |
53 | ZZA | 0.9109 |
54 | ONR | 0.9107 |
55 | 6TZ | 0.9105 |
56 | L22 | 0.9100 |
57 | TXW | 0.9098 |
58 | TCR | 0.9090 |
59 | AZM | 0.9088 |
60 | 1ER | 0.9085 |
61 | N4E | 0.9085 |
62 | AUV | 0.9084 |
63 | IWT | 0.9083 |
64 | EV2 | 0.9075 |
65 | A6W | 0.9072 |
66 | 6MW | 0.9068 |
67 | 463 | 0.9066 |
68 | XI7 | 0.9054 |
69 | MS0 | 0.9049 |
70 | ODK | 0.9043 |
71 | 78Y | 0.9043 |
72 | 2D2 | 0.9042 |
73 | 0UL | 0.9034 |
74 | 4FF | 0.9033 |
75 | 36M | 0.9031 |
76 | Y3L | 0.9028 |
77 | KWH | 0.9027 |
78 | LL1 | 0.9027 |
79 | FCD | 0.9023 |
80 | L5D | 0.9022 |
81 | KWQ | 0.9018 |
82 | SRO | 0.9016 |
83 | UN3 | 0.9015 |
84 | 9UL | 0.9014 |
85 | TT4 | 0.9009 |
86 | GZ2 | 0.9009 |
87 | YTX | 0.9006 |
88 | GF4 | 0.9006 |
89 | WUB | 0.9005 |
90 | A7Q | 0.9003 |
91 | MPV | 0.9003 |
92 | 6C8 | 0.9002 |
93 | BPY | 0.8998 |
94 | 7FF | 0.8993 |
95 | VFM | 0.8993 |
96 | 2UZ | 0.8992 |
97 | 4AV | 0.8983 |
98 | S7S | 0.8982 |
99 | MZM | 0.8980 |
100 | HKK | 0.8970 |
101 | P7V | 0.8966 |
102 | EV3 | 0.8964 |
103 | A9B | 0.8964 |
104 | IQQ | 0.8963 |
105 | 4V2 | 0.8961 |
106 | B2T | 0.8959 |
107 | GOE | 0.8958 |
108 | P80 | 0.8957 |
109 | 8RK | 0.8948 |
110 | BZJ | 0.8947 |
111 | C8O | 0.8947 |
112 | RPN | 0.8944 |
113 | C82 | 0.8942 |
114 | 4I8 | 0.8939 |
115 | YE6 | 0.8933 |
116 | KW8 | 0.8933 |
117 | CX4 | 0.8928 |
118 | 3CX | 0.8928 |
119 | 549 | 0.8926 |
120 | OW7 | 0.8925 |
121 | M4N | 0.8922 |
122 | M5H | 0.8919 |
123 | 8NB | 0.8919 |
124 | K4T | 0.8915 |
125 | J1K | 0.8914 |
126 | 7KE | 0.8913 |
127 | L03 | 0.8913 |
128 | TRP | 0.8911 |
129 | 27K | 0.8911 |
130 | BQ5 | 0.8909 |
131 | KMY | 0.8908 |
132 | VFG | 0.8905 |
133 | QIV | 0.8904 |
134 | 3S6 | 0.8903 |
135 | M1Z | 0.8902 |
136 | EUH | 0.8901 |
137 | CKA | 0.8898 |
138 | KWB | 0.8898 |
139 | 2GQ | 0.8894 |
140 | 92G | 0.8891 |
141 | 2LW | 0.8890 |
142 | EZL | 0.8887 |
143 | YZ9 | 0.8887 |
144 | 4AU | 0.8886 |
145 | M3E | 0.8886 |
146 | HH6 | 0.8885 |
147 | 5C1 | 0.8884 |
148 | XEN | 0.8883 |
149 | 5TO | 0.8881 |
150 | 7MW | 0.8880 |
151 | JHY | 0.8880 |
152 | 2F6 | 0.8879 |
153 | A5H | 0.8878 |
154 | 3VQ | 0.8877 |
155 | JF5 | 0.8877 |
156 | FER | 0.8877 |
157 | CIY | 0.8876 |
158 | MKN | 0.8876 |
159 | 0K7 | 0.8872 |
160 | 7MX | 0.8872 |
161 | AMR | 0.8870 |
162 | GJK | 0.8869 |
163 | 0W1 | 0.8868 |
164 | 36Z | 0.8867 |
165 | NGA | 0.8864 |
166 | A29 | 0.8863 |
167 | 94W | 0.8861 |
168 | II4 | 0.8860 |
169 | S46 | 0.8858 |
170 | JMG | 0.8857 |
171 | CWJ | 0.8853 |
172 | NFZ | 0.8851 |
173 | 5V5 | 0.8848 |
174 | D25 | 0.8843 |
175 | SSY | 0.8840 |
176 | JP2 | 0.8840 |
177 | GNY | 0.8840 |
178 | BP7 | 0.8840 |
179 | SSC | 0.8839 |
180 | 14W | 0.8838 |
181 | L98 | 0.8836 |
182 | IOP | 0.8836 |
183 | JCZ | 0.8835 |
184 | 8NX | 0.8835 |
185 | 9X3 | 0.8835 |
186 | J9N | 0.8832 |
187 | NIF | 0.8831 |
188 | X48 | 0.8831 |
189 | X11 | 0.8831 |
190 | JWS | 0.8827 |
191 | 28A | 0.8827 |
192 | 5NR | 0.8826 |
193 | NLQ | 0.8820 |
194 | HHB | 0.8820 |
195 | 7FU | 0.8819 |
196 | NIR | 0.8816 |
197 | KCH | 0.8813 |
198 | GNR | 0.8812 |
199 | 3SU | 0.8811 |
200 | 5GT | 0.8810 |
201 | DXK | 0.8809 |
202 | 1AE | 0.8808 |
203 | 3IL | 0.8805 |
204 | QR2 | 0.8803 |
205 | SNJ | 0.8802 |
206 | 4G2 | 0.8797 |
207 | FZ6 | 0.8796 |
208 | 3ZB | 0.8796 |
209 | 4BY | 0.8791 |
210 | 657 | 0.8787 |
211 | 6KT | 0.8785 |
212 | RCV | 0.8781 |
213 | 6C5 | 0.8778 |
214 | 7VP | 0.8778 |
215 | 5B2 | 0.8771 |
216 | P4L | 0.8770 |
217 | 7G2 | 0.8770 |
218 | KWV | 0.8767 |
219 | D8Q | 0.8764 |
220 | L07 | 0.8762 |
221 | AY4 | 0.8762 |
222 | 6FB | 0.8761 |
223 | 7L4 | 0.8759 |
224 | 1A7 | 0.8759 |
225 | HJH | 0.8755 |
226 | 28B | 0.8753 |
227 | 344 | 0.8751 |
228 | EYY | 0.8749 |
229 | 3GV | 0.8748 |
230 | RK4 | 0.8746 |
231 | PIQ | 0.8746 |
232 | BSA | 0.8746 |
233 | HJ7 | 0.8745 |
234 | FCW | 0.8744 |
235 | LSQ | 0.8743 |
236 | 1XS | 0.8738 |
237 | 3EB | 0.8737 |
238 | 9XZ | 0.8737 |
239 | 5E5 | 0.8737 |
240 | 4XF | 0.8736 |
241 | J38 | 0.8735 |
242 | 47V | 0.8732 |
243 | 5H6 | 0.8731 |
244 | F40 | 0.8728 |
245 | 28S | 0.8728 |
246 | 3DE | 0.8728 |
247 | 2JX | 0.8724 |
248 | LRW | 0.8721 |
249 | DVQ | 0.8720 |
250 | KLE | 0.8717 |
251 | KM2 | 0.8717 |
252 | 1AJ | 0.8715 |
253 | M78 | 0.8709 |
254 | AZY | 0.8709 |
255 | CK2 | 0.8708 |
256 | BGU | 0.8704 |
257 | EY7 | 0.8701 |
258 | 2GE | 0.8701 |
259 | 2J3 | 0.8700 |
260 | ENO | 0.8700 |
261 | BIK | 0.8699 |
262 | EYM | 0.8698 |
263 | 77X | 0.8695 |
264 | 428 | 0.8694 |
265 | 6FG | 0.8693 |
266 | 6DQ | 0.8693 |
267 | N1E | 0.8692 |
268 | I2E | 0.8691 |
269 | 3QV | 0.8690 |
270 | K97 | 0.8690 |
271 | HRM | 0.8689 |
272 | EYJ | 0.8687 |
273 | PRL | 0.8686 |
274 | ALE | 0.8686 |
275 | SQV | 0.8685 |
276 | 6DH | 0.8684 |
277 | FZ0 | 0.8684 |
278 | ET0 | 0.8677 |
279 | MUR | 0.8675 |
280 | TJM | 0.8674 |
281 | TU0 | 0.8670 |
282 | 9KZ | 0.8665 |
283 | NDG | 0.8665 |
284 | PQT | 0.8663 |
285 | HX4 | 0.8660 |
286 | 6C9 | 0.8660 |
287 | 4BL | 0.8660 |
288 | DBE | 0.8657 |
289 | CFA | 0.8656 |
290 | BQ2 | 0.8652 |
291 | JGY | 0.8651 |
292 | UNJ | 0.8648 |
293 | C0W | 0.8640 |
294 | JG8 | 0.8638 |
295 | 2GD | 0.8636 |
296 | W81 | 0.8636 |
297 | S7G | 0.8635 |
298 | T2D | 0.8634 |
299 | AES | 0.8630 |
300 | EYA | 0.8624 |
301 | S60 | 0.8623 |
302 | P83 | 0.8615 |
303 | M83 | 0.8608 |
304 | KNA | 0.8606 |
305 | 5OO | 0.8605 |
306 | K7H | 0.8603 |
307 | 5RP | 0.8596 |
308 | HNT | 0.8586 |
309 | ALA PHE | 0.8585 |
310 | 6C4 | 0.8584 |
311 | IN2 | 0.8583 |
312 | MRU | 0.8583 |
313 | K3D | 0.8579 |
314 | 90G | 0.8568 |
315 | LIG | 0.8567 |
316 | ALA DGL | 0.8559 |
317 | S0J | 0.8551 |
318 | S62 | 0.8549 |
319 | 1V4 | 0.8548 |
320 | EGV | 0.8545 |
321 | ING | 0.8542 |
322 | ALA GLU | 0.8538 |
323 | SU9 | 0.8535 |
324 | RI2 | 0.8532 |
325 | MST | 0.8520 |
This union binding pocket(no: 1) in the query (biounit: 6pdh.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |