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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 6 families. | |||||
1 | 3FHY | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
2 | 4EN4 | Ki = 3 uM | GT0 | C9 H13 N O3 | Cc1c(c(c(c.... |
3 | 4EOH | Ki = 50 uM | TEP | C7 H8 N4 O2 | CN1c2c([nH.... |
4 | 3FHX | - | PLP | C8 H10 N O6 P | Cc1c(c(c(c.... |
5 | 2YXU | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 3FHY | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
2 | 4EN4 | Ki = 3 uM | GT0 | C9 H13 N O3 | Cc1c(c(c(c.... |
3 | 4EOH | Ki = 50 uM | TEP | C7 H8 N4 O2 | CN1c2c([nH.... |
4 | 3FHX | - | PLP | C8 H10 N O6 P | Cc1c(c(c(c.... |
5 | 2YXU | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
6 | 3ZS7 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | HEJ | 1 | 1 |
2 | ATP | 1 | 1 |
3 | AQP | 0.985507 | 1 |
4 | 5FA | 0.985507 | 1 |
5 | AP5 | 0.927536 | 0.971831 |
6 | B4P | 0.927536 | 0.971831 |
7 | BA3 | 0.913043 | 0.971831 |
8 | ADP | 0.9 | 1 |
9 | A2D | 0.884058 | 0.971831 |
10 | SAP | 0.84 | 0.945946 |
11 | AGS | 0.84 | 0.945946 |
12 | 6YZ | 0.833333 | 0.972222 |
13 | AT4 | 0.810811 | 0.958904 |
14 | AN2 | 0.810811 | 0.985915 |
15 | 25L | 0.809524 | 0.985915 |
16 | AR6 | 0.802632 | 0.971831 |
17 | APR | 0.802632 | 0.971831 |
18 | M33 | 0.8 | 0.958333 |
19 | TAT | 0.794872 | 0.958904 |
20 | T99 | 0.794872 | 0.958904 |
21 | ACQ | 0.794872 | 0.972222 |
22 | AD9 | 0.792208 | 0.972222 |
23 | ACP | 0.789474 | 0.972222 |
24 | A | 0.788732 | 0.971429 |
25 | AMP | 0.788732 | 0.971429 |
26 | ANP | 0.772152 | 0.972222 |
27 | HQG | 0.756098 | 0.985915 |
28 | CA0 | 0.753247 | 0.945205 |
29 | ADX | 0.753247 | 0.873418 |
30 | A22 | 0.746988 | 0.985915 |
31 | KG4 | 0.74359 | 0.945205 |
32 | 50T | 0.74359 | 0.958333 |
33 | APC | 0.734177 | 0.958904 |
34 | PRX | 0.734177 | 0.893333 |
35 | ABM | 0.733333 | 0.917808 |
36 | 45A | 0.733333 | 0.917808 |
37 | ATF | 0.731707 | 0.958904 |
38 | 7D4 | 0.730769 | 0.905405 |
39 | ITT | 0.730769 | 0.943662 |
40 | A3R | 0.729412 | 0.907895 |
41 | ADQ | 0.729412 | 0.945205 |
42 | A12 | 0.714286 | 0.958904 |
43 | AP2 | 0.714286 | 0.958904 |
44 | A1R | 0.709302 | 0.907895 |
45 | SRA | 0.706667 | 0.918919 |
46 | 5AL | 0.698795 | 0.931507 |
47 | 8LE | 0.698795 | 0.894737 |
48 | ADP MG | 0.696203 | 0.943662 |
49 | HFD | 0.695122 | 0.945946 |
50 | JSQ | 0.695122 | 0.945946 |
51 | 9X8 | 0.693182 | 0.92 |
52 | OAD | 0.693182 | 0.945205 |
53 | AU1 | 0.6875 | 0.972222 |
54 | APC MG | 0.682927 | 0.917808 |
55 | 8LH | 0.682353 | 0.906667 |
56 | SRP | 0.682353 | 0.906667 |
57 | G5P | 0.680851 | 0.921053 |
58 | OZV | 0.678161 | 0.971831 |
59 | 25A | 0.678161 | 0.971831 |
60 | 3OD | 0.677778 | 0.945205 |
61 | 4AD | 0.670455 | 0.92 |
62 | G3A | 0.670213 | 0.921053 |
63 | 8LQ | 0.666667 | 0.906667 |
64 | 00A | 0.662921 | 0.883117 |
65 | ATP MG | 0.662651 | 0.943662 |
66 | ADV | 0.662651 | 0.932432 |
67 | ADP PO3 | 0.662651 | 0.943662 |
68 | RBY | 0.662651 | 0.932432 |
69 | BIS | 0.659341 | 0.933333 |
70 | OOB | 0.659091 | 0.931507 |
71 | 5SV | 0.659091 | 0.848101 |
72 | 8QN | 0.659091 | 0.931507 |
73 | GTA | 0.65625 | 0.886076 |
74 | UP5 | 0.653061 | 0.92 |
75 | AMO | 0.651685 | 0.932432 |
76 | PAJ | 0.651685 | 0.884615 |
77 | 2A5 | 0.650602 | 0.918919 |
78 | MAP | 0.647727 | 0.945946 |
79 | 3AT | 0.647059 | 0.971831 |
80 | DLL | 0.644444 | 0.931507 |
81 | AHX | 0.644444 | 0.896104 |
82 | PAP | 0.642857 | 0.985714 |
83 | ATR | 0.642857 | 0.971429 |
84 | PTJ | 0.641304 | 0.896104 |
85 | 7D3 | 0.6375 | 0.905405 |
86 | 3UK | 0.637363 | 0.918919 |
87 | SON | 0.634146 | 0.932432 |
88 | A4P | 0.633663 | 0.843373 |
89 | ALF ADP | 0.632184 | 0.87013 |
90 | ADP ALF | 0.632184 | 0.87013 |
91 | LAD | 0.630435 | 0.860759 |
92 | PR8 | 0.630435 | 0.85 |
93 | B5V | 0.630435 | 0.906667 |
94 | WAQ | 0.630435 | 0.883117 |
95 | AFH | 0.628866 | 0.884615 |
96 | LMS | 0.628205 | 0.82716 |
97 | DTP | 0.627907 | 0.905405 |
98 | GAP | 0.627907 | 0.893333 |
99 | VO4 ADP | 0.625 | 0.931507 |
100 | ADP VO4 | 0.625 | 0.931507 |
101 | FYA | 0.623656 | 0.905405 |
102 | ME8 | 0.623656 | 0.839506 |
103 | NB8 | 0.623656 | 0.896104 |
104 | TXA | 0.623656 | 0.932432 |
105 | 1ZZ | 0.623656 | 0.839506 |
106 | DQV | 0.622449 | 0.958333 |
107 | T5A | 0.621359 | 0.841463 |
108 | ADN | 0.619718 | 0.84507 |
109 | XYA | 0.619718 | 0.84507 |
110 | RAB | 0.619718 | 0.84507 |
111 | DAL AMP | 0.611111 | 0.905405 |
112 | 9SN | 0.610526 | 0.871795 |
113 | 48N | 0.61 | 0.896104 |
114 | AP0 | 0.607843 | 0.896104 |
115 | 9ZA | 0.604396 | 0.907895 |
116 | 9ZD | 0.604396 | 0.907895 |
117 | B5Y | 0.604167 | 0.894737 |
118 | B5M | 0.604167 | 0.894737 |
119 | YAP | 0.604167 | 0.894737 |
120 | FA5 | 0.604167 | 0.906667 |
121 | TXD | 0.60396 | 0.907895 |
122 | 6V0 | 0.60396 | 0.896104 |
123 | NXX | 0.60396 | 0.932432 |
124 | DND | 0.60396 | 0.932432 |
125 | NAI | 0.60396 | 0.907895 |
126 | NAX | 0.60396 | 0.873418 |
127 | ADP BMA | 0.602151 | 0.918919 |
128 | A2R | 0.6 | 0.985915 |
129 | OMR | 0.598039 | 0.851852 |
130 | TXE | 0.598039 | 0.907895 |
131 | XAH | 0.597938 | 0.839506 |
132 | 7DT | 0.593023 | 0.985714 |
133 | AOC | 0.592593 | 0.821918 |
134 | 4UV | 0.591837 | 0.894737 |
135 | DDS | 0.590909 | 0.878378 |
136 | 139 | 0.590476 | 0.873418 |
137 | CNA | 0.584906 | 0.932432 |
138 | 6AD | 0.58427 | 0.909091 |
139 | 5AS | 0.583333 | 0.77907 |
140 | 5N5 | 0.581081 | 0.819444 |
141 | 4UU | 0.58 | 0.894737 |
142 | GA7 | 0.58 | 0.906667 |
143 | 4TC | 0.576923 | 0.896104 |
144 | ADJ | 0.575472 | 0.851852 |
145 | A4D | 0.573333 | 0.819444 |
146 | 5CD | 0.573333 | 0.805556 |
147 | A3P | 0.571429 | 0.971429 |
148 | RGT | 0.571429 | 0.958904 |
149 | 7D5 | 0.56962 | 0.878378 |
150 | LAQ | 0.568627 | 0.839506 |
151 | NO7 | 0.565217 | 0.932432 |
152 | F2R | 0.564815 | 0.864198 |
153 | 80F | 0.563636 | 0.841463 |
154 | YLP | 0.563107 | 0.819277 |
155 | A A | 0.5625 | 0.944444 |
156 | UPA | 0.561905 | 0.907895 |
157 | AV2 | 0.56044 | 0.917808 |
158 | COD | 0.559633 | 0.811765 |
159 | 4UW | 0.557692 | 0.860759 |
160 | JB6 | 0.556701 | 0.883117 |
161 | ATP A | 0.555556 | 0.930556 |
162 | ATP A A A | 0.555556 | 0.930556 |
163 | 3AM | 0.555556 | 0.929577 |
164 | A2P | 0.552941 | 0.957143 |
165 | TYM | 0.552381 | 0.906667 |
166 | NA7 | 0.552083 | 0.958904 |
167 | EP4 | 0.551282 | 0.753247 |
168 | MYR AMP | 0.55102 | 0.817073 |
169 | PPS | 0.549451 | 0.873418 |
170 | YLB | 0.54717 | 0.819277 |
171 | YLC | 0.54717 | 0.839506 |
172 | H1Q | 0.545455 | 0.90411 |
173 | NAD | 0.545455 | 0.931507 |
174 | DAT | 0.545455 | 0.905405 |
175 | TYR AMP | 0.544554 | 0.87013 |
176 | G5A | 0.544444 | 0.77907 |
177 | DTA | 0.544304 | 0.786667 |
178 | M2T | 0.544304 | 0.734177 |
179 | 3DH | 0.54321 | 0.773333 |
180 | 128 | 0.542857 | 0.776471 |
181 | AHZ | 0.538462 | 0.817073 |
182 | GTP | 0.537634 | 0.92 |
183 | SSA | 0.537634 | 0.8 |
184 | MTA | 0.5375 | 0.773333 |
185 | IOT | 0.537037 | 0.831325 |
186 | A3D | 0.535714 | 0.918919 |
187 | 7MD | 0.533981 | 0.8625 |
188 | AR6 AR6 | 0.533981 | 0.917808 |
189 | ARG AMP | 0.533981 | 0.829268 |
190 | YLA | 0.53211 | 0.819277 |
191 | AMP DBH | 0.529412 | 0.893333 |
192 | IMO | 0.529412 | 0.929577 |
193 | TAD | 0.528846 | 0.884615 |
194 | AYB | 0.527273 | 0.809524 |
195 | HDV | 0.526882 | 0.893333 |
196 | A5A | 0.526882 | 0.807229 |
197 | TSB | 0.526316 | 0.819277 |
198 | EAD | 0.525424 | 0.873418 |
199 | 2AM | 0.52439 | 0.943662 |
200 | 6RE | 0.52381 | 0.759494 |
201 | 6MZ | 0.523256 | 0.930556 |
202 | 7DD | 0.522727 | 0.985714 |
203 | V3L | 0.521739 | 0.971831 |
204 | AVV | 0.520833 | 0.896104 |
205 | BTX | 0.517857 | 0.841463 |
206 | NAE | 0.517241 | 0.894737 |
207 | VMS | 0.515789 | 0.788235 |
208 | 54H | 0.515789 | 0.788235 |
209 | 52H | 0.515789 | 0.77907 |
210 | NSS | 0.515464 | 0.8 |
211 | BT5 | 0.513274 | 0.831325 |
212 | NAQ | 0.512821 | 0.871795 |
213 | ZAS | 0.511905 | 0.766234 |
214 | A3N | 0.511628 | 0.786667 |
215 | J7C | 0.511628 | 0.769231 |
216 | 5X8 | 0.511111 | 0.763158 |
217 | 8X1 | 0.510417 | 0.752809 |
218 | 53H | 0.510417 | 0.77907 |
219 | 5CA | 0.510417 | 0.8 |
220 | ARU | 0.510204 | 0.860759 |
221 | NVA LMS | 0.510204 | 0.752809 |
222 | AF3 ADP 3PG | 0.509259 | 0.8375 |
223 | ZID | 0.508475 | 0.918919 |
224 | P1H | 0.508197 | 0.851852 |
225 | OVE | 0.505882 | 0.905405 |
226 | S4M | 0.505747 | 0.666667 |
227 | LEU LMS | 0.50505 | 0.752809 |
228 | LPA AMP | 0.504673 | 0.817073 |
229 | 7MC | 0.504587 | 0.841463 |
230 | DSZ | 0.5 | 0.8 |
231 | MAO | 0.5 | 0.759036 |
232 | DSH | 0.5 | 0.725 |
233 | FB0 | 0.5 | 0.804598 |
234 | P5A | 0.5 | 0.744444 |
235 | DZD | 0.5 | 0.884615 |
236 | LSS | 0.5 | 0.761364 |
237 | NDE | 0.495935 | 0.932432 |
238 | N0B | 0.495798 | 0.819277 |
239 | M24 | 0.495726 | 0.85 |
240 | YLY | 0.495726 | 0.809524 |
241 | NJP | 0.495575 | 0.945946 |
242 | 9K8 | 0.49505 | 0.714286 |
243 | MGP | 0.494737 | 0.884615 |
244 | 6C6 | 0.494624 | 0.881579 |
245 | NAJ PZO | 0.491379 | 0.848101 |
246 | 0WD | 0.491228 | 0.921053 |
247 | 6G0 | 0.489583 | 0.884615 |
248 | GJV | 0.488636 | 0.75 |
249 | 6FA | 0.488189 | 0.841463 |
250 | 5AD | 0.486842 | 0.746479 |
251 | GSU | 0.485149 | 0.77907 |
252 | KAA | 0.485149 | 0.752809 |
253 | 71V | 0.483146 | 0.907895 |
254 | A3G | 0.482759 | 0.8 |
255 | NEC | 0.482759 | 0.746667 |
256 | ODP | 0.482456 | 0.909091 |
257 | FAS | 0.48062 | 0.851852 |
258 | FAD | 0.48062 | 0.851852 |
259 | 7D7 | 0.480519 | 0.743243 |
260 | FDA | 0.480315 | 0.833333 |
261 | N6P | 0.48 | 0.915493 |
262 | 2SA | 0.479167 | 0.932432 |
263 | GP3 | 0.478723 | 0.921053 |
264 | 4TA | 0.478261 | 0.807229 |
265 | AMP NAD | 0.478261 | 0.905405 |
266 | SFG | 0.478261 | 0.75 |
267 | G A A A | 0.478261 | 0.871795 |
268 | NDP | 0.477876 | 0.921053 |
269 | NPW | 0.477876 | 0.886076 |
270 | NDC | 0.47619 | 0.871795 |
271 | YSA | 0.47619 | 0.77907 |
272 | LQJ | 0.47619 | 0.917808 |
273 | NAJ PYZ | 0.475 | 0.807229 |
274 | MGO | 0.474227 | 0.860759 |
275 | NZQ | 0.473684 | 0.909091 |
276 | 6IA | 0.473684 | 0.8375 |
277 | GDP | 0.473684 | 0.92 |
278 | TXP | 0.473684 | 0.921053 |
279 | A7D | 0.472527 | 0.776316 |
280 | J4G | 0.470588 | 0.92 |
281 | SFD | 0.469231 | 0.734043 |
282 | A5D | 0.468085 | 0.786667 |
283 | ZDA | 0.468085 | 0.864865 |
284 | SA8 | 0.468085 | 0.707317 |
285 | 12D | 0.46789 | 0.785714 |
286 | PGS | 0.467391 | 0.883117 |
287 | MHZ | 0.467391 | 0.697674 |
288 | 8PZ | 0.466667 | 0.8 |
289 | 62F | 0.466165 | 0.8625 |
290 | DA | 0.465909 | 0.878378 |
291 | D5M | 0.465909 | 0.878378 |
292 | GGZ | 0.464646 | 0.825 |
293 | SAH | 0.463158 | 0.74359 |
294 | SAI | 0.463158 | 0.734177 |
295 | FAY | 0.462687 | 0.8625 |
296 | Y3J | 0.4625 | 0.726027 |
297 | B1U | 0.462264 | 0.736264 |
298 | PO4 PO4 A A A A PO4 | 0.460784 | 0.902778 |
299 | AAM | 0.460674 | 0.971429 |
300 | RFL | 0.459259 | 0.821429 |
301 | HF7 | 0.459184 | 0.893333 |
302 | SMM | 0.459184 | 0.686047 |
303 | C2R | 0.458824 | 0.90411 |
304 | AMZ | 0.458824 | 0.916667 |
305 | SAM | 0.458333 | 0.690476 |
306 | A3S | 0.456522 | 0.810811 |
307 | FNK | 0.455224 | 0.804598 |
308 | U A | 0.453782 | 0.907895 |
309 | 7C5 | 0.453704 | 0.818182 |
310 | AAT | 0.453608 | 0.707317 |
311 | EEM | 0.453608 | 0.690476 |
312 | A G | 0.452991 | 0.883117 |
313 | XNP | 0.452991 | 0.873418 |
314 | PRT | 0.45283 | 0.931507 |
315 | AIR | 0.451219 | 0.901408 |
316 | 62X | 0.45098 | 0.666667 |
317 | KOY | 0.45045 | 0.802632 |
318 | DCA | 0.45 | 0.823529 |
319 | GSP | 0.45 | 0.873418 |
320 | ETB | 0.45 | 0.833333 |
321 | N5O | 0.449438 | 0.763158 |
322 | U A G G | 0.449153 | 0.883117 |
323 | NIA | 0.448276 | 0.822785 |
324 | A3T | 0.446809 | 0.821918 |
325 | A A A | 0.446602 | 0.905405 |
326 | K15 | 0.446602 | 0.682353 |
327 | PUA | 0.446281 | 0.884615 |
328 | 6K6 | 0.445545 | 0.930556 |
329 | GEK | 0.445545 | 0.7375 |
330 | 4YB | 0.445455 | 0.761364 |
331 | S7M | 0.444444 | 0.690476 |
332 | 1DG | 0.443548 | 0.921053 |
333 | DG1 | 0.443548 | 0.921053 |
334 | Z5A | 0.443548 | 0.77907 |
335 | 0T1 | 0.442623 | 0.823529 |
336 | COA | 0.442623 | 0.823529 |
337 | WSA | 0.442478 | 0.788235 |
338 | N5A | 0.43956 | 0.736842 |
339 | 8BR | 0.43956 | 0.906667 |
340 | 8Q2 | 0.438596 | 0.772727 |
341 | 101 | 0.438202 | 0.878378 |
342 | IDP | 0.4375 | 0.918919 |
343 | NVA 2AD | 0.4375 | 0.759494 |
344 | 9JJ | 0.435714 | 0.8625 |
345 | NAP | 0.435484 | 0.945205 |
346 | APU | 0.434783 | 0.894737 |
347 | A U | 0.434783 | 0.87013 |
348 | 7RP | 0.433333 | 0.928571 |
349 | A6D | 0.432692 | 0.722892 |
350 | 30N | 0.432 | 0.752688 |
351 | CAO | 0.432 | 0.795455 |
352 | TAP | 0.432 | 0.907895 |
353 | COS | 0.432 | 0.804598 |
354 | J7V | 0.432 | 0.833333 |
355 | AMX | 0.432 | 0.833333 |
356 | V1N | 0.431193 | 0.917808 |
357 | 649 | 0.429825 | 0.744444 |
358 | P5F | 0.429577 | 0.823529 |
359 | CMX | 0.428571 | 0.823529 |
360 | SCO | 0.428571 | 0.823529 |
361 | NA0 | 0.428571 | 0.932432 |
362 | 7RA | 0.428571 | 0.957747 |
363 | GAV | 0.427184 | 0.884615 |
364 | 0UM | 0.427184 | 0.698795 |
365 | QQY | 0.426966 | 0.815789 |
366 | 1RB | 0.426966 | 0.885714 |
367 | ACK | 0.426966 | 0.861111 |
368 | G1R | 0.425743 | 0.907895 |
369 | GCP | 0.425743 | 0.896104 |
370 | FAM | 0.425197 | 0.804598 |
371 | ACO | 0.425197 | 0.795455 |
372 | FCX | 0.425197 | 0.795455 |
373 | OZP | 0.424779 | 0.728395 |
374 | GNH | 0.424242 | 0.907895 |
375 | F2N | 0.423611 | 0.813953 |
376 | GKE | 0.422018 | 0.884615 |
377 | GDC | 0.422018 | 0.884615 |
378 | GDD | 0.422018 | 0.884615 |
379 | HAX | 0.421875 | 0.804598 |
380 | 3AD | 0.421687 | 0.805556 |
381 | GNP | 0.421569 | 0.896104 |
382 | 9GM | 0.421569 | 0.896104 |
383 | FA9 | 0.42069 | 0.864198 |
384 | TM1 | 0.420561 | 0.77381 |
385 | KB1 | 0.420561 | 0.698795 |
386 | 9BG | 0.420168 | 0.896104 |
387 | H6Y | 0.42 | 0.945205 |
388 | 2MC | 0.419847 | 0.769231 |
389 | FYN | 0.418605 | 0.823529 |
390 | 3KK | 0.418605 | 0.804598 |
391 | S8M | 0.417476 | 0.759494 |
392 | 7L1 | 0.417323 | 0.795455 |
393 | 26A | 0.416667 | 0.763158 |
394 | NHD | 0.416667 | 0.905405 |
395 | 2VA | 0.416667 | 0.8 |
396 | HZ2 | 0.415929 | 0.731707 |
397 | QQX | 0.41573 | 0.805195 |
398 | SOP | 0.415385 | 0.804598 |
399 | KGP | 0.415385 | 0.729167 |
400 | COK | 0.415385 | 0.804598 |
401 | YZS | 0.415385 | 0.729167 |
402 | MCD | 0.415385 | 0.804598 |
403 | CA6 | 0.415385 | 0.729167 |
404 | OXK | 0.415385 | 0.804598 |
405 | YE1 | 0.413534 | 0.813953 |
406 | AS | 0.413043 | 0.833333 |
407 | FAI | 0.413043 | 0.916667 |
408 | RMB | 0.413043 | 0.873239 |
409 | CMC | 0.412214 | 0.804598 |
410 | CO6 | 0.412214 | 0.804598 |
411 | 1VU | 0.412214 | 0.795455 |
412 | NMX | 0.412214 | 0.76087 |
413 | SXZ | 0.411215 | 0.710843 |
414 | ANZ | 0.410714 | 0.8 |
415 | SCA | 0.410448 | 0.804598 |
416 | CAJ | 0.409091 | 0.804598 |
417 | SCD | 0.409091 | 0.823529 |
418 | HY8 | 0.408696 | 0.731707 |
419 | EO7 | 0.408602 | 0.788235 |
420 | D3Y | 0.407767 | 0.789474 |
421 | CC5 | 0.407407 | 0.816901 |
422 | KGA | 0.407407 | 0.744681 |
423 | KH3 | 0.40708 | 0.674419 |
424 | SLU | 0.406504 | 0.770115 |
425 | A C A C | 0.406504 | 0.848101 |
426 | 5GP | 0.40625 | 0.906667 |
427 | G | 0.40625 | 0.906667 |
428 | KGJ | 0.406015 | 0.752688 |
429 | A1S | 0.406015 | 0.804598 |
430 | IVC | 0.406015 | 0.813953 |
431 | MLC | 0.406015 | 0.804598 |
432 | 3HC | 0.406015 | 0.813953 |
433 | BCO | 0.406015 | 0.804598 |
434 | 1HE | 0.406015 | 0.786517 |
435 | GTG | 0.405405 | 0.886076 |
436 | NMN AMP PO4 | 0.404959 | 0.87013 |
437 | 3L1 | 0.404762 | 0.773333 |
438 | 3D1 | 0.404762 | 0.773333 |
439 | 2BA | 0.404255 | 0.915493 |
440 | CMP | 0.404255 | 0.901408 |
441 | VRT | 0.40404 | 0.769231 |
442 | SO8 | 0.40404 | 0.789474 |
443 | SO5 | 0.402985 | 0.721649 |
444 | MCA | 0.402985 | 0.795455 |
445 | CAA | 0.402985 | 0.813953 |
446 | COO | 0.402985 | 0.804598 |
447 | LCV | 0.402985 | 0.721649 |
448 | G2R | 0.401869 | 0.884615 |
449 | 3NZ | 0.401869 | 0.782051 |
450 | YXR | 0.4 | 0.729167 |
451 | 2CP | 0.4 | 0.795455 |
452 | ZZB | 0.4 | 0.77381 |
453 | MC4 | 0.4 | 0.76087 |
454 | YXS | 0.4 | 0.729167 |
455 | 2FA | 0.4 | 0.813333 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GT1 | 1 | 1 |
2 | PXP | 0.686275 | 0.886792 |
3 | PMP | 0.673077 | 0.793103 |
4 | PLR | 0.576923 | 0.846154 |
5 | PMH | 0.569231 | 0.643836 |
6 | GT0 | 0.568627 | 0.75 |
7 | PLG | 0.564516 | 0.746032 |
8 | IN5 | 0.564516 | 0.783333 |
9 | 2BK | 0.545455 | 0.786885 |
10 | TLP | 0.545455 | 0.786885 |
11 | PLS | 0.545455 | 0.746032 |
12 | 2BO | 0.545455 | 0.786885 |
13 | PP3 | 0.538462 | 0.758065 |
14 | PDA | 0.538462 | 0.758065 |
15 | P1T | 0.538462 | 0.686567 |
16 | PDD | 0.538462 | 0.758065 |
17 | IK2 | 0.530303 | 0.686567 |
18 | 33P | 0.530303 | 0.830508 |
19 | CKT | 0.530303 | 0.730159 |
20 | 5PA | 0.522388 | 0.686567 |
21 | PLP | 0.517857 | 0.830189 |
22 | C6P | 0.514706 | 0.71875 |
23 | PPD | 0.514706 | 0.71875 |
24 | 7XF | 0.514286 | 0.69697 |
25 | ILP | 0.514286 | 0.761905 |
26 | PZP | 0.508772 | 0.767857 |
27 | PLA | 0.507246 | 0.727273 |
28 | PY5 | 0.507246 | 0.727273 |
29 | P0P | 0.5 | 0.830189 |
30 | CBA | 0.492958 | 0.723077 |
31 | PDG | 0.492958 | 0.69697 |
32 | 7TS | 0.492958 | 0.61039 |
33 | PGU | 0.492958 | 0.69697 |
34 | PL2 | 0.486111 | 0.701493 |
35 | QLP | 0.486111 | 0.657143 |
36 | LCS | 0.486111 | 0.626667 |
37 | PMG | 0.486111 | 0.705882 |
38 | DCS | 0.486111 | 0.618421 |
39 | LPI | 0.486111 | 0.746269 |
40 | 76U | 0.479452 | 0.686567 |
41 | HEY | 0.479452 | 0.676471 |
42 | PY6 | 0.479452 | 0.705882 |
43 | PSZ | 0.472973 | 0.666667 |
44 | ORX | 0.472973 | 0.686567 |
45 | N5F | 0.472973 | 0.686567 |
46 | EA5 | 0.472973 | 0.691176 |
47 | 3LM | 0.472973 | 0.757576 |
48 | PPG | 0.467532 | 0.686567 |
49 | 9YM | 0.466667 | 0.723077 |
50 | PE1 | 0.466667 | 0.686567 |
51 | PL4 | 0.454545 | 0.686567 |
52 | PXG | 0.454545 | 0.71875 |
53 | RW2 | 0.454545 | 0.666667 |
54 | PL8 | 0.448718 | 0.613333 |
55 | KAM | 0.443038 | 0.712121 |
56 | RMT | 0.443038 | 0.707692 |
57 | 2B1 | 0.4375 | 0.638889 |
58 | DN9 | 0.4375 | 0.666667 |
59 | 7B9 | 0.4375 | 0.638889 |
60 | EPC | 0.432836 | 0.785714 |
61 | AN7 | 0.432836 | 0.767857 |
62 | FOO | 0.426471 | 0.716667 |
63 | EXT | 0.426471 | 0.733333 |
64 | AQ3 | 0.421687 | 0.676471 |
65 | 1D0 | 0.421687 | 0.666667 |
66 | 2B6 | 0.421687 | 0.613333 |
67 | EVM | 0.416667 | 0.725806 |
68 | 0JO | 0.414286 | 0.68254 |
69 | 4LM | 0.414286 | 0.721311 |
70 | PLP CYS | 0.410959 | 0.666667 |
71 | F0G | 0.408451 | 0.758621 |
72 | MPM | 0.408451 | 0.775862 |
73 | KOU | 0.402778 | 0.737705 |
74 | FEV | 0.402778 | 0.709677 |
This union binding pocket(no: 1) in the query (biounit: 4en4.bio1) has 34 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4en4.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4en4.bio1) has 38 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4en4.bio1) has 38 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 4en4.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 4en4.bio1) has 38 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |