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- 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 19 families. | |||||
1 | 1V0M | - | XDN XYP | n/a | n/a |
2 | 1V0N | - | XIF XYP | n/a | n/a |
3 | 1V0K | Ki = 40 uM | XYP XDN | n/a | n/a |
4 | 1V0L | Ki = 480 nM | XIF XYP | n/a | n/a |
5 | 1OD8 | - | XDL XYP | n/a | n/a |
6 | 3W25 | - | XYP XYP | n/a | n/a |
7 | 3W27 | - | XYS XYP | n/a | n/a |
8 | 3W26 | - | XYP XYP XYP | n/a | n/a |
9 | 3W29 | - | XYS XYP XYP XYP | n/a | n/a |
10 | 3W28 | - | XYS XYP XYP | n/a | n/a |
11 | 1B30 | - | XYP XYP XYP | n/a | n/a |
12 | 1B3V | - | XYS | C5 H10 O5 | C1[C@H]([C.... |
13 | 1B3Y | - | XYS | C5 H10 O5 | C1[C@H]([C.... |
14 | 1B3X | - | XYP XYP XYP | n/a | n/a |
15 | 1B3Z | - | XYP XYP XYP | n/a | n/a |
16 | 1ISY | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
17 | 1V6W | - | XYP XYP | n/a | n/a |
18 | 1ISX | - | XYP XYP | n/a | n/a |
19 | 1ISZ | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
20 | 1V6U | - | XYP XYP | n/a | n/a |
21 | 1V6X | - | XYP XYP | n/a | n/a |
22 | 1V6V | - | XYP XYP | n/a | n/a |
23 | 2D24 | - | XYS XYS | n/a | n/a |
24 | 2D23 | - | XYS AZI XYS | n/a | n/a |
25 | 1IT0 | - | BGC GAL | n/a | n/a |
26 | 1ISW | - | XYP XYP | n/a | n/a |
27 | 2D20 | - | NPO | C6 H5 N O3 | c1cc(ccc1[.... |
28 | 1ISV | - | XYP | C5 H10 O5 | C1[C@H]([C.... |
29 | 3EMZ | - | HXH | C19 H21 N O4 | c1ccc(cc1).... |
30 | 3WUE | - | XYP | C5 H10 O5 | C1[C@H]([C.... |
31 | 3WUG | - | XYP | C5 H10 O5 | C1[C@H]([C.... |
32 | 1FH7 | Ki = 5.8 uM | XYP XDN | n/a | n/a |
33 | 1FHD | Ki = 0.15 uM | XYP XIM | n/a | n/a |
34 | 1FH8 | Ki = 0.13 uM | XYP XIF | n/a | n/a |
35 | 1J01 | Ki = 0.34 uM | XIL | C10 H17 N O7 | C1CNC(=O)[.... |
36 | 1FH9 | Ki = 0.37 uM | LOX XYP | n/a | n/a |
37 | 5D4Y | - | XYP XYP | n/a | n/a |
38 | 2FGL | - | XYS XYS | n/a | n/a |
39 | 3NJ3 | - | XYP XYP | n/a | n/a |
40 | 1VBR | - | XYP XYS | n/a | n/a |
41 | 2BNJ | - | XYP XYP AHR FER | n/a | n/a |
42 | 7K4X | Kd = 13.04 uM | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
43 | 5RGA | - | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
44 | 7K4Z | - | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
45 | 1GOR | - | XYS XYP | n/a | n/a |
46 | 7K4Q | Kd = 372.5 uM | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
47 | 5RGD | - | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
48 | 7K4U | - | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
49 | 5RGC | - | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
50 | 4BS0 | Ki = 2 uM | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
51 | 3NYD | - | 3NY | C6 H4 N4 O2 | c1cc2c(cc1.... |
52 | 5RGB | - | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
53 | 5RGE | - | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
54 | 1GOQ | - | XYP XYP | n/a | n/a |
55 | 5RGF | - | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
56 | 1UQY | - | XYP XYP XYP XYP | n/a | n/a |
57 | 1UR1 | - | XYS XYP AHR | n/a | n/a |
58 | 1UQZ | - | XYP XYP XYP GCV | n/a | n/a |
59 | 3RDK | - | XYS XYP XYP GCV | n/a | n/a |
60 | 5OFK | - | XYP XYP XYP XYP XYP XYP XYP | n/a | n/a |
61 | 5OFL | Ka = 17500 M^-1 | BGC BGC BGC BGC BGC BGC | n/a | n/a |
62 | 1R87 | - | XYP XYP | n/a | n/a |
63 | 1HIZ | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|
No: | Ligand | Similarity coefficient |
---|---|---|
1 | XDN XYP | 1.0000 |
2 | XYP XDN | 0.9998 |
3 | XDL XYP | 0.9971 |
4 | XYP XYP | 0.9963 |
5 | XIL | 0.9897 |
6 | XYS XYP | 0.9728 |
7 | XIF XYP | 0.9705 |
8 | XYP XIF | 0.9686 |
9 | XYS AZI XYS | 0.9641 |
10 | XYS XYS | 0.9615 |
11 | P2L | 0.9526 |
12 | XYP XYS | 0.9366 |
13 | ADN | 0.9364 |
14 | ZRK | 0.9342 |
15 | LOX XYP | 0.9290 |
16 | AFX | 0.9262 |
17 | TCC | 0.9248 |
18 | 0SY | 0.9235 |
19 | C4E | 0.9227 |
20 | NOC | 0.9224 |
21 | 5AD | 0.9211 |
22 | 8OB | 0.9209 |
23 | 3D8 | 0.9206 |
24 | 5FD | 0.9205 |
25 | 4GU | 0.9199 |
26 | CC5 | 0.9196 |
27 | 833 | 0.9188 |
28 | 7EH | 0.9183 |
29 | WCU | 0.9176 |
30 | 38E | 0.9176 |
31 | ISX | 0.9158 |
32 | ARJ | 0.9157 |
33 | 5F1 | 0.9144 |
34 | 9JT | 0.9144 |
35 | 6BK | 0.9141 |
36 | 28A | 0.9137 |
37 | 9CE | 0.9124 |
38 | AD3 | 0.9122 |
39 | TCL | 0.9122 |
40 | 5ID | 0.9121 |
41 | 7L4 | 0.9119 |
42 | AJ4 | 0.9110 |
43 | NOS | 0.9103 |
44 | 0OK | 0.9101 |
45 | AVX | 0.9099 |
46 | CBE | 0.9096 |
47 | 27M | 0.9095 |
48 | 272 | 0.9091 |
49 | DXK | 0.9090 |
50 | DFL | 0.9088 |
51 | 5E5 | 0.9087 |
52 | F40 | 0.9084 |
53 | FCW | 0.9080 |
54 | 2QU | 0.9080 |
55 | C0H | 0.9077 |
56 | LR2 | 0.9076 |
57 | NE1 | 0.9069 |
58 | FHV | 0.9066 |
59 | 3L1 | 0.9064 |
60 | ZRL | 0.9064 |
61 | QME | 0.9059 |
62 | U13 | 0.9057 |
63 | F18 | 0.9057 |
64 | Y3J | 0.9053 |
65 | 6WR | 0.9050 |
66 | 20D | 0.9050 |
67 | BBY | 0.9050 |
68 | 0UL | 0.9046 |
69 | A73 | 0.9044 |
70 | 1V1 | 0.9041 |
71 | 3CA | 0.9040 |
72 | 6H2 | 0.9037 |
73 | D9Z | 0.9036 |
74 | THU | 0.9035 |
75 | MJW | 0.9034 |
76 | B4L | 0.9032 |
77 | WLH | 0.9022 |
78 | P4L | 0.9018 |
79 | KWB | 0.9015 |
80 | 4AU | 0.9015 |
81 | EAT | 0.9011 |
82 | 4L2 | 0.9008 |
83 | S0D | 0.9008 |
84 | MMA XYP | 0.9003 |
85 | 6J3 | 0.9001 |
86 | B5A | 0.9001 |
87 | XYP XIM | 0.9001 |
88 | GMP | 0.8994 |
89 | 5I5 | 0.8992 |
90 | LL1 | 0.8991 |
91 | OLU | 0.8988 |
92 | EQW | 0.8987 |
93 | 0X2 | 0.8986 |
94 | L2K | 0.8986 |
95 | FB4 | 0.8986 |
96 | LJ4 | 0.8984 |
97 | 1FL | 0.8984 |
98 | YE6 | 0.8982 |
99 | TMG | 0.8982 |
100 | 2JX | 0.8980 |
101 | 3IP | 0.8979 |
102 | DCN | 0.8975 |
103 | 848 | 0.8974 |
104 | 4Z1 | 0.8973 |
105 | FHI | 0.8972 |
106 | 51Y | 0.8970 |
107 | XYP AHR | 0.8969 |
108 | EXG | 0.8969 |
109 | 5CD | 0.8968 |
110 | IMH | 0.8968 |
111 | 3F4 | 0.8968 |
112 | RGK | 0.8965 |
113 | 92O | 0.8963 |
114 | 8OE | 0.8962 |
115 | SZ5 | 0.8961 |
116 | XCG | 0.8958 |
117 | 3GX | 0.8956 |
118 | 25F | 0.8953 |
119 | 15Q | 0.8953 |
120 | X48 | 0.8952 |
121 | TLF | 0.8950 |
122 | 26C | 0.8950 |
123 | AOY | 0.8949 |
124 | 397 | 0.8948 |
125 | 3AD | 0.8946 |
126 | Q4G | 0.8946 |
127 | 3JC | 0.8943 |
128 | LVY | 0.8942 |
129 | 2PV | 0.8939 |
130 | X2M | 0.8939 |
131 | 6DQ | 0.8938 |
132 | LU2 | 0.8937 |
133 | 7VF | 0.8937 |
134 | L5D | 0.8936 |
135 | MZR | 0.8935 |
136 | EF2 | 0.8933 |
137 | WVV | 0.8932 |
138 | 2PK | 0.8931 |
139 | FZM | 0.8929 |
140 | TRP | 0.8929 |
141 | 5CK | 0.8926 |
142 | KW7 | 0.8925 |
143 | YUG | 0.8925 |
144 | II4 | 0.8923 |
145 | 5N5 | 0.8923 |
146 | NKI | 0.8922 |
147 | 2D2 | 0.8922 |
148 | FPL | 0.8922 |
149 | 68B | 0.8921 |
150 | 4MP | 0.8916 |
151 | MJ5 | 0.8915 |
152 | BGC BGC | 0.8914 |
153 | 1SF | 0.8913 |
154 | AGI | 0.8913 |
155 | PRH | 0.8912 |
156 | 2FA | 0.8912 |
157 | 2GD | 0.8911 |
158 | 6EL | 0.8911 |
159 | UKV | 0.8910 |
160 | 5S9 | 0.8908 |
161 | 3D1 | 0.8908 |
162 | 4EU | 0.8908 |
163 | 6QT | 0.8906 |
164 | AUV | 0.8905 |
165 | CUQ | 0.8904 |
166 | KF5 | 0.8904 |
167 | HH6 | 0.8904 |
168 | DSQ | 0.8903 |
169 | 1XS | 0.8903 |
170 | DBE | 0.8903 |
171 | DBS | 0.8902 |
172 | 4NR | 0.8902 |
173 | 4FF | 0.8900 |
174 | 4CN | 0.8900 |
175 | 0FR | 0.8900 |
176 | A7Q | 0.8899 |
177 | JFS | 0.8898 |
178 | ID8 | 0.8896 |
179 | V2Z | 0.8894 |
180 | 50Q | 0.8891 |
181 | 4G2 | 0.8889 |
182 | NXB | 0.8889 |
183 | UA2 | 0.8886 |
184 | TI7 | 0.8885 |
185 | FMQ | 0.8884 |
186 | H75 | 0.8882 |
187 | A51 | 0.8881 |
188 | 22L | 0.8880 |
189 | 57D | 0.8878 |
190 | NAL | 0.8877 |
191 | CJZ | 0.8877 |
192 | MUK | 0.8875 |
193 | CH8 | 0.8874 |
194 | IMK | 0.8872 |
195 | CUH | 0.8870 |
196 | IQW | 0.8867 |
197 | FT2 | 0.8867 |
198 | XYA | 0.8866 |
199 | GZV | 0.8864 |
200 | M3W | 0.8864 |
201 | 5VU | 0.8863 |
202 | 1ZC | 0.8863 |
203 | J47 | 0.8863 |
204 | D1Y | 0.8860 |
205 | TBN | 0.8860 |
206 | GNG | 0.8859 |
207 | 1Q4 | 0.8858 |
208 | A | 0.8857 |
209 | 5C1 | 0.8857 |
210 | EZN | 0.8856 |
211 | FY8 | 0.8856 |
212 | S1D | 0.8855 |
213 | 5NN | 0.8853 |
214 | N2Y | 0.8851 |
215 | JCZ | 0.8851 |
216 | 2P3 | 0.8850 |
217 | A4D | 0.8849 |
218 | EMU | 0.8847 |
219 | MTA | 0.8847 |
220 | ERZ | 0.8846 |
221 | JF8 | 0.8846 |
222 | 64I | 0.8843 |
223 | 5CQ | 0.8839 |
224 | 96Z | 0.8839 |
225 | IFM BGC | 0.8838 |
226 | DBM | 0.8838 |
227 | E9S | 0.8837 |
228 | Q0K | 0.8837 |
229 | 08C | 0.8836 |
230 | NAR | 0.8836 |
231 | TGW | 0.8835 |
232 | KP2 | 0.8833 |
233 | ENG | 0.8832 |
234 | SA0 | 0.8830 |
235 | 9FG | 0.8829 |
236 | BMC | 0.8828 |
237 | 1AJ | 0.8827 |
238 | AJ6 | 0.8827 |
239 | KYN | 0.8827 |
240 | 120 | 0.8825 |
241 | SOJ | 0.8825 |
242 | 4ZF | 0.8824 |
243 | 5WK | 0.8822 |
244 | M01 | 0.8821 |
245 | AHR FUB | 0.8821 |
246 | 7G1 | 0.8820 |
247 | 1DA | 0.8818 |
248 | OUA | 0.8818 |
249 | C2M | 0.8818 |
250 | XTS | 0.8817 |
251 | ZYV | 0.8817 |
252 | 11X | 0.8814 |
253 | 363 | 0.8814 |
254 | EZB | 0.8813 |
255 | NEO | 0.8812 |
256 | AVA | 0.8812 |
257 | 7G0 | 0.8812 |
258 | IDZ | 0.8812 |
259 | FMB | 0.8810 |
260 | 42R | 0.8809 |
261 | EV2 | 0.8809 |
262 | 16Z | 0.8807 |
263 | CJB | 0.8807 |
264 | FTU | 0.8806 |
265 | JSX | 0.8806 |
266 | DS8 | 0.8806 |
267 | G14 | 0.8804 |
268 | Z16 | 0.8803 |
269 | FT3 | 0.8802 |
270 | RPP | 0.8802 |
271 | L3L | 0.8800 |
272 | G30 | 0.8797 |
273 | BNY | 0.8797 |
274 | 3RP | 0.8796 |
275 | C53 | 0.8796 |
276 | MTP | 0.8795 |
277 | GFE | 0.8794 |
278 | H7S | 0.8793 |
279 | CX5 | 0.8793 |
280 | VT3 | 0.8792 |
281 | MXD | 0.8791 |
282 | EKH | 0.8791 |
283 | S0G | 0.8789 |
284 | 97K | 0.8787 |
285 | EDG AHR | 0.8787 |
286 | U14 | 0.8786 |
287 | VIB | 0.8786 |
288 | DFV | 0.8785 |
289 | LI4 | 0.8784 |
290 | Y70 | 0.8783 |
291 | 3WJ | 0.8783 |
292 | AKD | 0.8783 |
293 | DKX | 0.8781 |
294 | 1YO | 0.8781 |
295 | A6H | 0.8780 |
296 | NU3 | 0.8777 |
297 | 7D7 | 0.8775 |
298 | CTE | 0.8773 |
299 | DK4 | 0.8772 |
300 | GPK | 0.8770 |
301 | 9FH | 0.8770 |
302 | BGC OXZ | 0.8768 |
303 | 1A5 | 0.8767 |
304 | 0OP | 0.8765 |
305 | 2LT | 0.8765 |
306 | MHB | 0.8762 |
307 | A4V | 0.8762 |
308 | 5E4 | 0.8760 |
309 | 3WK | 0.8759 |
310 | 7ZO | 0.8758 |
311 | JA3 | 0.8756 |
312 | VBC | 0.8756 |
313 | THM | 0.8756 |
314 | 27F | 0.8755 |
315 | 0ON | 0.8754 |
316 | ZZA | 0.8753 |
317 | XXX | 0.8752 |
318 | DAH | 0.8752 |
319 | NYJ | 0.8750 |
320 | BP3 | 0.8749 |
321 | 72E | 0.8746 |
322 | 6DE | 0.8745 |
323 | 8WB | 0.8744 |
324 | DKZ | 0.8744 |
325 | 69K | 0.8743 |
326 | WDW | 0.8742 |
327 | PUR | 0.8741 |
328 | NIY | 0.8741 |
329 | 3DE | 0.8741 |
330 | 2GQ | 0.8738 |
331 | CL9 | 0.8738 |
332 | FT1 | 0.8734 |
333 | URI | 0.8734 |
334 | E3X | 0.8732 |
335 | 14N | 0.8730 |
336 | DCZ | 0.8729 |
337 | 4Z9 | 0.8728 |
338 | B21 | 0.8727 |
339 | 1KN | 0.8725 |
340 | Q9T | 0.8724 |
341 | GLC IFM | 0.8723 |
342 | GJB | 0.8720 |
343 | MG7 | 0.8720 |
344 | 8D6 | 0.8720 |
345 | 1V8 | 0.8717 |
346 | GLC BGC | 0.8715 |
347 | NW1 | 0.8713 |
348 | BXZ | 0.8712 |
349 | GNW | 0.8712 |
350 | DZ1 | 0.8711 |
351 | 5OR | 0.8710 |
352 | 3WO | 0.8708 |
353 | 3WN | 0.8708 |
354 | CUT | 0.8708 |
355 | 1ER | 0.8707 |
356 | EQA | 0.8707 |
357 | Z15 | 0.8706 |
358 | 43F | 0.8705 |
359 | 9UL | 0.8703 |
360 | 92G | 0.8702 |
361 | 3Y7 | 0.8702 |
362 | HO4 | 0.8702 |
363 | TH1 | 0.8702 |
364 | F4U | 0.8701 |
365 | AP6 | 0.8701 |
366 | IDD | 0.8701 |
367 | BMZ | 0.8701 |
368 | X29 | 0.8700 |
369 | DE7 | 0.8698 |
370 | D64 | 0.8697 |
371 | K80 | 0.8697 |
372 | NIF | 0.8696 |
373 | TPM | 0.8696 |
374 | 54F | 0.8695 |
375 | I0D | 0.8694 |
376 | Q2S | 0.8694 |
377 | BPY | 0.8694 |
378 | YIP | 0.8691 |
379 | MW5 | 0.8689 |
380 | 6MD | 0.8688 |
381 | NQ7 | 0.8687 |
382 | CC6 | 0.8686 |
383 | CDJ | 0.8686 |
384 | 3VQ | 0.8685 |
385 | C4F | 0.8684 |
386 | H2W | 0.8683 |
387 | NPZ | 0.8682 |
388 | GXG | 0.8681 |
389 | HPR | 0.8680 |
390 | 5M2 | 0.8680 |
391 | CWE | 0.8679 |
392 | GJG | 0.8679 |
393 | 6EN | 0.8679 |
394 | Z57 | 0.8676 |
395 | 4K2 | 0.8670 |
396 | GLC 7LQ | 0.8670 |
397 | 1V4 | 0.8668 |
398 | W8L | 0.8667 |
399 | E9L | 0.8666 |
400 | OA4 | 0.8666 |
401 | 6J5 | 0.8666 |
402 | HO6 | 0.8665 |
403 | 91F | 0.8661 |
404 | TJM | 0.8661 |
405 | O9Q | 0.8660 |
406 | GPQ | 0.8658 |
407 | FCD | 0.8657 |
408 | 5JT | 0.8657 |
409 | M02 | 0.8657 |
410 | LI7 | 0.8656 |
411 | 0NJ | 0.8656 |
412 | IEE | 0.8655 |
413 | GPU | 0.8655 |
414 | 5DE | 0.8655 |
415 | DDC | 0.8654 |
416 | HX8 | 0.8653 |
417 | MMS | 0.8651 |
418 | 3Q0 | 0.8648 |
419 | NEU | 0.8647 |
420 | GAL PHB | 0.8646 |
421 | 2L1 | 0.8646 |
422 | 0OO | 0.8643 |
423 | JMG | 0.8643 |
424 | MQR | 0.8640 |
425 | JO5 | 0.8639 |
426 | 6MW | 0.8638 |
427 | 5CJ | 0.8636 |
428 | OJD | 0.8636 |
429 | U4J | 0.8636 |
430 | ZEZ | 0.8634 |
431 | 0GA | 0.8633 |
432 | OSP | 0.8628 |
433 | DMB | 0.8623 |
434 | 56N | 0.8623 |
435 | ITW | 0.8622 |
436 | 0XR | 0.8620 |
437 | A7K | 0.8618 |
438 | W29 | 0.8618 |
439 | J84 | 0.8618 |
440 | 4F8 | 0.8616 |
441 | 5ER | 0.8615 |
442 | MIL | 0.8614 |
443 | KLE | 0.8613 |
444 | 6NZ | 0.8611 |
445 | A4N | 0.8611 |
446 | A8K | 0.8611 |
447 | LZJ | 0.8610 |
448 | B2L | 0.8610 |
449 | FT6 | 0.8609 |
450 | A18 | 0.8608 |
451 | 4YE | 0.8607 |
452 | 531 | 0.8604 |
453 | 3VW | 0.8602 |
454 | MQS | 0.8600 |
455 | ESE | 0.8597 |
456 | O9Z | 0.8596 |
457 | YOF | 0.8591 |
458 | TC8 | 0.8591 |
459 | A63 | 0.8587 |
460 | ODK | 0.8586 |
461 | 26A | 0.8585 |
462 | LZ5 | 0.8584 |
463 | RVE | 0.8582 |
464 | IMV | 0.8579 |
465 | NK5 | 0.8578 |
466 | TOH | 0.8578 |
467 | GAT | 0.8578 |
468 | U12 | 0.8576 |
469 | 3QI | 0.8575 |
470 | X6P | 0.8573 |
471 | FLF | 0.8572 |
472 | 22F | 0.8572 |
473 | 2L2 | 0.8570 |
474 | TYP | 0.8569 |
475 | 79W | 0.8567 |
476 | JPB | 0.8564 |
477 | 5H6 | 0.8563 |
478 | BVS | 0.8560 |
479 | GA2 | 0.8558 |
480 | SJR | 0.8558 |
481 | CMG | 0.8556 |
482 | 5UD | 0.8553 |
483 | U19 | 0.8552 |
484 | A4T | 0.8548 |
485 | CFE | 0.8548 |
486 | DX2 | 0.8545 |
487 | 5R8 | 0.8543 |
488 | V15 | 0.8536 |
489 | 4FP | 0.8536 |
490 | JPQ | 0.8534 |
491 | C93 | 0.8531 |
492 | OA1 | 0.8521 |
493 | Z2T | 0.8515 |
This union binding pocket(no: 1) in the query (biounit: 1v0l.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4PMZ | XYP XYP | 40.5941 |