- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 3 families. | |||||
1 | 6BM5 | Kd = 1.43 uM | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
2 | 1MSK | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
3 | 6BM6 | Kd = 20.8 uM | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
4 | 6BDY | Kd = 2.04 uM | SFG | C15 H23 N7 O5 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 6BM5 | Kd = 1.43 uM | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
2 | 1MSK | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
3 | 6BM6 | Kd = 20.8 uM | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
4 | 6BDY | Kd = 2.04 uM | SFG | C15 H23 N7 O5 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | SFG | 1 | 1 |
2 | 0UM | 0.689655 | 0.887324 |
3 | SAI | 0.654762 | 0.940298 |
4 | SA8 | 0.642857 | 0.9 |
5 | SAH | 0.635294 | 0.954545 |
6 | EEM | 0.62069 | 0.875 |
7 | 5X8 | 0.619048 | 0.924242 |
8 | S7M | 0.606742 | 0.875 |
9 | ADN | 0.597222 | 0.850746 |
10 | RAB | 0.597222 | 0.850746 |
11 | XYA | 0.597222 | 0.850746 |
12 | 5CD | 0.594595 | 0.863636 |
13 | N37 | 0.582524 | 0.940298 |
14 | 5N5 | 0.581081 | 0.850746 |
15 | 62X | 0.574468 | 0.84 |
16 | A4D | 0.573333 | 0.850746 |
17 | K15 | 0.568421 | 0.863014 |
18 | DTA | 0.564103 | 0.84058 |
19 | 6RE | 0.560976 | 0.833333 |
20 | SAM | 0.555556 | 0.875 |
21 | EP4 | 0.551282 | 0.802817 |
22 | KB1 | 0.55102 | 0.887324 |
23 | M2T | 0.544304 | 0.780822 |
24 | SMM | 0.537634 | 0.84 |
25 | MTA | 0.5375 | 0.826087 |
26 | KYE | 0.534653 | 0.851351 |
27 | NWW | 0.532468 | 0.84375 |
28 | LMS | 0.53012 | 0.678571 |
29 | ZAS | 0.53012 | 0.816901 |
30 | A | 0.53012 | 0.77027 |
31 | AMP | 0.53012 | 0.77027 |
32 | J7C | 0.529412 | 0.84507 |
33 | KG4 | 0.52809 | 0.776316 |
34 | 3DH | 0.52439 | 0.826087 |
35 | AMP MG | 0.52381 | 0.780822 |
36 | HZ2 | 0.52381 | 0.875 |
37 | GJV | 0.523256 | 0.821918 |
38 | SON | 0.522727 | 0.813333 |
39 | 0XU | 0.522222 | 0.938462 |
40 | SSA | 0.521277 | 0.697674 |
41 | SRP | 0.521277 | 0.813333 |
42 | AOC | 0.517647 | 0.826087 |
43 | CA0 | 0.516854 | 0.776316 |
44 | 5AL | 0.516129 | 0.786667 |
45 | AMO | 0.515464 | 0.813333 |
46 | DSZ | 0.515464 | 0.717647 |
47 | GSU | 0.515152 | 0.738095 |
48 | KXW | 0.514286 | 0.9 |
49 | KH3 | 0.514286 | 0.851351 |
50 | 45A | 0.511628 | 0.75 |
51 | A2D | 0.511628 | 0.75 |
52 | A3N | 0.511628 | 0.814286 |
53 | ABM | 0.511628 | 0.75 |
54 | A5A | 0.510638 | 0.682353 |
55 | 5CA | 0.510417 | 0.697674 |
56 | SRA | 0.505882 | 0.730769 |
57 | S4M | 0.505747 | 0.792208 |
58 | AN2 | 0.505618 | 0.74026 |
59 | A3S | 0.505618 | 0.895522 |
60 | A7D | 0.505618 | 0.882353 |
61 | GAP | 0.505376 | 0.776316 |
62 | OZP | 0.504673 | 0.9 |
63 | A12 | 0.5 | 0.766234 |
64 | EU9 | 0.5 | 0.7875 |
65 | M33 | 0.5 | 0.74026 |
66 | AP2 | 0.5 | 0.766234 |
67 | BA3 | 0.5 | 0.75 |
68 | Y3J | 0.5 | 0.80303 |
69 | KAA | 0.5 | 0.712644 |
70 | LSS | 0.5 | 0.681818 |
71 | DSH | 0.5 | 0.871429 |
72 | V2G | 0.5 | 0.759494 |
73 | LAD | 0.5 | 0.818182 |
74 | 54H | 0.5 | 0.666667 |
75 | ADX | 0.5 | 0.678571 |
76 | HY8 | 0.5 | 0.875 |
77 | VMS | 0.5 | 0.666667 |
78 | ME8 | 0.49505 | 0.775 |
79 | SXZ | 0.49505 | 0.875 |
80 | AHX | 0.494949 | 0.759494 |
81 | 53H | 0.494845 | 0.659091 |
82 | DAL AMP | 0.494845 | 0.786667 |
83 | TSB | 0.494845 | 0.674419 |
84 | G5A | 0.494624 | 0.697674 |
85 | 50T | 0.494505 | 0.74026 |
86 | ADP | 0.494382 | 0.75 |
87 | B4P | 0.494382 | 0.75 |
88 | 5AS | 0.494382 | 0.640449 |
89 | AP5 | 0.494382 | 0.75 |
90 | Q2M | 0.490909 | 0.875 |
91 | Q34 | 0.490909 | 0.851351 |
92 | F0P | 0.490909 | 0.9 |
93 | GEK | 0.489796 | 0.913043 |
94 | 8QN | 0.489796 | 0.786667 |
95 | 8LH | 0.489583 | 0.766234 |
96 | V47 | 0.489583 | 0.923077 |
97 | ADP BEF | 0.488889 | 0.77027 |
98 | AT4 | 0.488889 | 0.721519 |
99 | ADP MG | 0.488889 | 0.77027 |
100 | 5AD | 0.486842 | 0.828125 |
101 | PAJ | 0.484848 | 0.728395 |
102 | 52H | 0.484536 | 0.659091 |
103 | 8LE | 0.484211 | 0.75641 |
104 | APC MG | 0.483871 | 0.773333 |
105 | AU1 | 0.483516 | 0.730769 |
106 | MAO | 0.483146 | 0.782051 |
107 | NEC | 0.482759 | 0.797101 |
108 | A3G | 0.482759 | 0.882353 |
109 | 3AM | 0.482353 | 0.733333 |
110 | 7D7 | 0.480519 | 0.794118 |
111 | TXA | 0.480392 | 0.766234 |
112 | NB8 | 0.480392 | 0.782051 |
113 | NVA LMS | 0.48 | 0.693182 |
114 | QA7 | 0.479592 | 0.75641 |
115 | 8LQ | 0.479592 | 0.789474 |
116 | ATF | 0.479167 | 0.721519 |
117 | ACP | 0.478261 | 0.753247 |
118 | HEJ | 0.478261 | 0.75 |
119 | H1Q | 0.478261 | 0.76 |
120 | ATP | 0.478261 | 0.75 |
121 | A3T | 0.478261 | 0.852941 |
122 | Q2P | 0.478261 | 0.851351 |
123 | Q2V | 0.477876 | 0.887324 |
124 | U4Y | 0.477064 | 0.913043 |
125 | 7MD | 0.476636 | 0.775 |
126 | YSA | 0.47619 | 0.697674 |
127 | XAH | 0.47619 | 0.775 |
128 | 9ZA | 0.474747 | 0.746835 |
129 | 9ZD | 0.474747 | 0.746835 |
130 | PRX | 0.473118 | 0.753247 |
131 | APR | 0.473118 | 0.773333 |
132 | AQP | 0.473118 | 0.75 |
133 | 5FA | 0.473118 | 0.75 |
134 | AR6 | 0.473118 | 0.773333 |
135 | APC | 0.473118 | 0.766234 |
136 | NWQ | 0.470588 | 0.818182 |
137 | WAQ | 0.470588 | 0.815789 |
138 | 4AD | 0.47 | 0.802632 |
139 | NSS | 0.47 | 0.697674 |
140 | F2R | 0.469565 | 0.756098 |
141 | RBY | 0.468085 | 0.789474 |
142 | A5D | 0.468085 | 0.84058 |
143 | AD9 | 0.468085 | 0.730769 |
144 | ADV | 0.468085 | 0.789474 |
145 | ATP MG | 0.468085 | 0.77027 |
146 | ADP PO3 | 0.468085 | 0.77027 |
147 | AGS | 0.468085 | 0.7125 |
148 | MHZ | 0.467391 | 0.782051 |
149 | FA5 | 0.466667 | 0.813333 |
150 | PTJ | 0.466019 | 0.7375 |
151 | N5O | 0.465909 | 0.867647 |
152 | 00A | 0.465347 | 0.746835 |
153 | D3Y | 0.464646 | 0.869565 |
154 | 8X1 | 0.464646 | 0.693182 |
155 | BEF ADP | 0.463158 | 0.75 |
156 | VRT | 0.463158 | 0.871429 |
157 | GA7 | 0.462963 | 0.74359 |
158 | LEU LMS | 0.460784 | 0.709302 |
159 | S8M | 0.46 | 0.859155 |
160 | OOB | 0.46 | 0.786667 |
161 | QXP | 0.46 | 0.682353 |
162 | ACQ | 0.458333 | 0.753247 |
163 | T99 | 0.458333 | 0.721519 |
164 | TAT | 0.458333 | 0.721519 |
165 | ANP | 0.458333 | 0.730769 |
166 | J4G | 0.456311 | 0.826667 |
167 | B5V | 0.456311 | 0.766234 |
168 | N5A | 0.455556 | 0.865672 |
169 | HQG | 0.454545 | 0.763158 |
170 | AAT | 0.453608 | 0.847222 |
171 | 2AM | 0.453488 | 0.723684 |
172 | 8PZ | 0.45283 | 0.697674 |
173 | FYA | 0.451923 | 0.786667 |
174 | YLC | 0.451327 | 0.797468 |
175 | DLL | 0.45098 | 0.786667 |
176 | A3P | 0.450549 | 0.746667 |
177 | YLP | 0.45045 | 0.777778 |
178 | A22 | 0.45 | 0.74026 |
179 | ARG AMP | 0.449541 | 0.765432 |
180 | ANP MG | 0.44898 | 0.74026 |
181 | VO4 ADP | 0.44898 | 0.730769 |
182 | ALF ADP | 0.44898 | 0.7125 |
183 | 2VA | 0.446809 | 0.828571 |
184 | QXG | 0.446602 | 0.674419 |
185 | 3UK | 0.446602 | 0.776316 |
186 | OAD | 0.446602 | 0.776316 |
187 | OZV | 0.445545 | 0.75 |
188 | 80F | 0.445378 | 0.73494 |
189 | 6YZ | 0.444444 | 0.753247 |
190 | IOT | 0.443478 | 0.768293 |
191 | 9SN | 0.443396 | 0.7375 |
192 | P5A | 0.442308 | 0.704545 |
193 | R2V | 0.442308 | 0.682353 |
194 | PR8 | 0.442308 | 0.807692 |
195 | 7D5 | 0.44186 | 0.714286 |
196 | A1R | 0.441176 | 0.769231 |
197 | 7C5 | 0.440367 | 0.797297 |
198 | TT8 | 0.44 | 0.926471 |
199 | YLA | 0.439655 | 0.777778 |
200 | YLB | 0.438596 | 0.777778 |
201 | 9K8 | 0.438095 | 0.655556 |
202 | 1ZZ | 0.438095 | 0.753086 |
203 | 3OD | 0.438095 | 0.776316 |
204 | BIS | 0.438095 | 0.725 |
205 | NVA 2AD | 0.4375 | 0.859155 |
206 | JNT | 0.436893 | 0.753247 |
207 | MAP | 0.435644 | 0.7125 |
208 | KY2 | 0.435644 | 0.824324 |
209 | MYR AMP | 0.433962 | 0.753086 |
210 | NAI | 0.433628 | 0.725 |
211 | SO8 | 0.43299 | 0.816901 |
212 | A6D | 0.432692 | 0.74359 |
213 | 9X8 | 0.432692 | 0.734177 |
214 | 5SV | 0.431373 | 0.7375 |
215 | 25A | 0.431373 | 0.75 |
216 | WSA | 0.429825 | 0.705882 |
217 | TYM | 0.429825 | 0.813333 |
218 | 3NZ | 0.428571 | 0.833333 |
219 | LAQ | 0.428571 | 0.753086 |
220 | A3R | 0.427184 | 0.769231 |
221 | ADQ | 0.427184 | 0.753247 |
222 | KYB | 0.427184 | 0.824324 |
223 | 7MC | 0.426087 | 0.756098 |
224 | 8Q2 | 0.426087 | 0.674157 |
225 | B5M | 0.425926 | 0.75641 |
226 | B5Y | 0.425926 | 0.75641 |
227 | 48N | 0.424779 | 0.759494 |
228 | LPA AMP | 0.424779 | 0.753086 |
229 | JB6 | 0.424528 | 0.746835 |
230 | PPS | 0.424242 | 0.658824 |
231 | AYB | 0.423729 | 0.768293 |
232 | K2H | 0.423077 | 0.780822 |
233 | PAP | 0.42268 | 0.736842 |
234 | OVE | 0.422222 | 0.696203 |
235 | B1U | 0.422018 | 0.623656 |
236 | 3AD | 0.421687 | 0.863636 |
237 | KY5 | 0.420561 | 0.871429 |
238 | 4YB | 0.419643 | 0.72093 |
239 | CMP | 0.419355 | 0.753425 |
240 | 2BA | 0.419355 | 0.743243 |
241 | A2P | 0.419355 | 0.733333 |
242 | ADP BMA | 0.419048 | 0.753247 |
243 | 4UV | 0.418182 | 0.75641 |
244 | ALF ADP 3PG | 0.417391 | 0.75 |
245 | AHZ | 0.415929 | 0.731707 |
246 | QQX | 0.41573 | 0.670886 |
247 | K2K | 0.415094 | 0.859155 |
248 | NX8 | 0.414141 | 0.859155 |
249 | AP0 | 0.413793 | 0.695122 |
250 | KL2 | 0.413793 | 0.697368 |
251 | L3W | 0.413793 | 0.74359 |
252 | K3K | 0.412844 | 0.780822 |
253 | ATP A | 0.412844 | 0.76 |
254 | ATP A A A | 0.412844 | 0.76 |
255 | NWZ | 0.412371 | 0.84507 |
256 | KOY | 0.412281 | 0.857143 |
257 | RP1 | 0.411111 | 0.705128 |
258 | QQY | 0.411111 | 0.679487 |
259 | ACK | 0.411111 | 0.716216 |
260 | SP1 | 0.411111 | 0.705128 |
261 | 4UU | 0.410714 | 0.75641 |
262 | AFH | 0.410714 | 0.728395 |
263 | TXD | 0.408696 | 0.725 |
264 | DND | 0.408696 | 0.766234 |
265 | 7D3 | 0.408602 | 0.696203 |
266 | CC5 | 0.407407 | 0.876923 |
267 | 25L | 0.407407 | 0.74026 |
268 | TAD | 0.40708 | 0.75 |
269 | DQV | 0.40708 | 0.763158 |
270 | K3E | 0.405405 | 0.77027 |
271 | AMP DBH | 0.405405 | 0.753247 |
272 | OMR | 0.405172 | 0.743902 |
273 | TXE | 0.405172 | 0.725 |
274 | AF3 ADP 3PG | 0.405172 | 0.75 |
275 | MTP | 0.404762 | 0.72973 |
276 | K38 | 0.40367 | 0.780822 |
277 | KY8 | 0.401869 | 0.847222 |
278 | N0B | 0.401575 | 0.777778 |
279 | V3L | 0.4 | 0.773333 |
280 | YLY | 0.4 | 0.768293 |
281 | KMQ | 0.4 | 0.74359 |
This union binding pocket(no: 1) in the query (biounit: 6bm5.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |