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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 27 families. | |||||
1 | 2ARU | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
2 | 2ART | - | LPA AMP | n/a | n/a |
3 | 2C8M | - | LPA | C8 H14 O2 S2 | C1CSS[C@@H.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 21 families. | |||||
1 | 2ARU | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
2 | 2ART | - | LPA AMP | n/a | n/a |
3 | 2C8M | - | LPA | C8 H14 O2 S2 | C1CSS[C@@H.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | LPA AMP | 1 | 1 |
2 | LAQ | 0.813725 | 0.975 |
3 | MYR AMP | 0.718447 | 0.880952 |
4 | GAP | 0.683673 | 0.864198 |
5 | DAL AMP | 0.619048 | 0.875 |
6 | ADP MG | 0.606061 | 0.860759 |
7 | ADP BEF | 0.606061 | 0.860759 |
8 | AMP MG | 0.57732 | 0.848101 |
9 | WAQ | 0.576577 | 0.901235 |
10 | 1ZZ | 0.571429 | 0.858824 |
11 | ATP MG | 0.567308 | 0.860759 |
12 | ADP PO3 | 0.567308 | 0.860759 |
13 | BEF ADP | 0.561905 | 0.839506 |
14 | VO4 ADP | 0.560748 | 0.819277 |
15 | A12 | 0.554455 | 0.809524 |
16 | AP2 | 0.554455 | 0.809524 |
17 | CA0 | 0.553398 | 0.841463 |
18 | A | 0.55102 | 0.814815 |
19 | AMP | 0.55102 | 0.814815 |
20 | ARG AMP | 0.550847 | 0.827586 |
21 | KG4 | 0.548077 | 0.841463 |
22 | ALF ADP | 0.546296 | 0.8 |
23 | ANP MG | 0.546296 | 0.829268 |
24 | ADP BMA | 0.539823 | 0.841463 |
25 | APC MG | 0.537736 | 0.8625 |
26 | 8LE | 0.537037 | 0.821429 |
27 | 45A | 0.534653 | 0.795181 |
28 | A2D | 0.534653 | 0.817073 |
29 | ABM | 0.534653 | 0.795181 |
30 | ADP | 0.533981 | 0.817073 |
31 | 8LQ | 0.531532 | 0.831325 |
32 | BT5 | 0.53125 | 0.894118 |
33 | TXA | 0.530435 | 0.831325 |
34 | ME8 | 0.530435 | 0.816092 |
35 | SON | 0.528846 | 0.853659 |
36 | AT4 | 0.528846 | 0.853659 |
37 | AN2 | 0.528846 | 0.807229 |
38 | ALF ADP 3PG | 0.528455 | 0.813953 |
39 | APC | 0.528302 | 0.809524 |
40 | BA3 | 0.524272 | 0.817073 |
41 | M33 | 0.52381 | 0.807229 |
42 | ADV | 0.523364 | 0.831325 |
43 | RBY | 0.523364 | 0.831325 |
44 | V2G | 0.522936 | 0.823529 |
45 | 5AL | 0.522936 | 0.851852 |
46 | AP5 | 0.519231 | 0.817073 |
47 | B4P | 0.519231 | 0.817073 |
48 | ACP | 0.518868 | 0.797619 |
49 | QA7 | 0.517857 | 0.821429 |
50 | AHZ | 0.516393 | 0.880952 |
51 | SRA | 0.514852 | 0.841463 |
52 | 8LH | 0.513514 | 0.831325 |
53 | SRP | 0.513514 | 0.831325 |
54 | 8QN | 0.513274 | 0.851852 |
55 | OOB | 0.513274 | 0.851852 |
56 | AR6 AR6 | 0.512397 | 0.8625 |
57 | AMP NAD | 0.511628 | 0.875 |
58 | ADX | 0.509434 | 0.784091 |
59 | AU1 | 0.509434 | 0.797619 |
60 | AGS | 0.509259 | 0.843373 |
61 | PAJ | 0.508772 | 0.793103 |
62 | PR8 | 0.508621 | 0.869048 |
63 | ATP | 0.504673 | 0.817073 |
64 | HEJ | 0.504673 | 0.817073 |
65 | 50T | 0.504673 | 0.785714 |
66 | 00A | 0.504348 | 0.811765 |
67 | DLL | 0.504348 | 0.851852 |
68 | PTJ | 0.504274 | 0.802326 |
69 | ATP A | 0.504202 | 0.85 |
70 | ATP A A A | 0.504202 | 0.85 |
71 | AF3 ADP 3PG | 0.504 | 0.813953 |
72 | NAD IBO | 0.5 | 0.8625 |
73 | 3UK | 0.5 | 0.841463 |
74 | NAD TDB | 0.5 | 0.8625 |
75 | ACQ | 0.5 | 0.797619 |
76 | OAD | 0.5 | 0.841463 |
77 | 5FA | 0.5 | 0.817073 |
78 | PRX | 0.5 | 0.819277 |
79 | APR | 0.5 | 0.839506 |
80 | AR6 | 0.5 | 0.839506 |
81 | AQP | 0.5 | 0.817073 |
82 | AMP DBH | 0.495868 | 0.819277 |
83 | 9SN | 0.495798 | 0.802326 |
84 | LAD | 0.495726 | 0.857143 |
85 | AMO | 0.495652 | 0.831325 |
86 | 4AD | 0.495652 | 0.843373 |
87 | AD9 | 0.495413 | 0.797619 |
88 | OMR | 0.492063 | 0.848837 |
89 | 3OD | 0.491525 | 0.841463 |
90 | 9X8 | 0.487179 | 0.843373 |
91 | 9ZD | 0.486957 | 0.811765 |
92 | 9ZA | 0.486957 | 0.811765 |
93 | 6YZ | 0.486726 | 0.797619 |
94 | TAT | 0.486486 | 0.853659 |
95 | ANP | 0.486486 | 0.797619 |
96 | T99 | 0.486486 | 0.853659 |
97 | B5V | 0.483051 | 0.831325 |
98 | A1R | 0.482759 | 0.811765 |
99 | ADQ | 0.482759 | 0.819277 |
100 | A3R | 0.482759 | 0.811765 |
101 | HQG | 0.482456 | 0.829268 |
102 | A3D | 0.481203 | 0.841463 |
103 | FA5 | 0.479339 | 0.831325 |
104 | NB8 | 0.478992 | 0.802326 |
105 | AHX | 0.478632 | 0.781609 |
106 | A22 | 0.478261 | 0.807229 |
107 | ATF | 0.477876 | 0.788235 |
108 | NAD | 0.477273 | 0.851852 |
109 | H1Q | 0.477064 | 0.804878 |
110 | 7MD | 0.475806 | 0.837209 |
111 | 4UU | 0.475806 | 0.821429 |
112 | LMS | 0.475728 | 0.764045 |
113 | 25A | 0.474138 | 0.817073 |
114 | 5SV | 0.474138 | 0.823529 |
115 | 4UW | 0.472441 | 0.793103 |
116 | TAD | 0.472 | 0.857143 |
117 | B5Y | 0.467213 | 0.821429 |
118 | B5M | 0.467213 | 0.821429 |
119 | JB6 | 0.466667 | 0.878049 |
120 | AOC | 0.466667 | 0.731707 |
121 | JNT | 0.466102 | 0.819277 |
122 | TSB | 0.465517 | 0.758242 |
123 | 8X1 | 0.465517 | 0.736842 |
124 | MAP | 0.465517 | 0.77907 |
125 | G5A | 0.464286 | 0.741935 |
126 | XAH | 0.463415 | 0.816092 |
127 | 5AS | 0.462963 | 0.741935 |
128 | OZV | 0.461538 | 0.817073 |
129 | NAX | 0.460938 | 0.784091 |
130 | 4UV | 0.459677 | 0.821429 |
131 | ADN | 0.458333 | 0.728395 |
132 | XYA | 0.458333 | 0.728395 |
133 | RAB | 0.458333 | 0.728395 |
134 | P5A | 0.458333 | 0.784946 |
135 | IOT | 0.458015 | 0.829545 |
136 | 52H | 0.456897 | 0.741935 |
137 | VMS | 0.456897 | 0.75 |
138 | 54H | 0.456897 | 0.75 |
139 | NAJ PZO | 0.455882 | 0.802326 |
140 | BIS | 0.454545 | 0.811765 |
141 | 7MC | 0.453846 | 0.818182 |
142 | YLB | 0.453846 | 0.83908 |
143 | NAJ PYZ | 0.453237 | 0.766667 |
144 | NAQ | 0.453237 | 0.802326 |
145 | YLP | 0.453125 | 0.83908 |
146 | 48N | 0.453125 | 0.802326 |
147 | A5A | 0.452174 | 0.766667 |
148 | DZD | 0.451852 | 0.813953 |
149 | 25L | 0.45082 | 0.807229 |
150 | DND | 0.449612 | 0.853659 |
151 | TXD | 0.449612 | 0.811765 |
152 | NAI | 0.449612 | 0.790698 |
153 | DQV | 0.448819 | 0.829268 |
154 | SSA | 0.448276 | 0.741935 |
155 | F2R | 0.447761 | 0.797753 |
156 | NAE | 0.446043 | 0.821429 |
157 | DSZ | 0.445378 | 0.76087 |
158 | COD | 0.444444 | 0.811111 |
159 | BTX | 0.444444 | 0.882353 |
160 | 5CD | 0.444444 | 0.716049 |
161 | 4TA | 0.444444 | 0.806818 |
162 | KMQ | 0.443548 | 0.809524 |
163 | YLC | 0.442748 | 0.837209 |
164 | FYA | 0.442623 | 0.807229 |
165 | DTA | 0.441176 | 0.7875 |
166 | GA7 | 0.440945 | 0.767442 |
167 | 5CA | 0.440678 | 0.741935 |
168 | 53H | 0.440678 | 0.741935 |
169 | ZID | 0.439716 | 0.841463 |
170 | YLY | 0.438849 | 0.829545 |
171 | 6V0 | 0.438462 | 0.781609 |
172 | LEU LMS | 0.438017 | 0.752688 |
173 | MTA | 0.436893 | 0.710843 |
174 | NDC | 0.435374 | 0.890244 |
175 | TXE | 0.435115 | 0.811765 |
176 | TYM | 0.435115 | 0.831325 |
177 | KAA | 0.434426 | 0.774194 |
178 | GSU | 0.434426 | 0.78022 |
179 | 5N5 | 0.434343 | 0.707317 |
180 | LSS | 0.433333 | 0.726316 |
181 | NSS | 0.433333 | 0.76087 |
182 | ADJ | 0.432836 | 0.806818 |
183 | YLA | 0.432836 | 0.83908 |
184 | L3W | 0.431818 | 0.809524 |
185 | AP0 | 0.431818 | 0.761364 |
186 | NDE | 0.431507 | 0.831325 |
187 | A4D | 0.43 | 0.728395 |
188 | 6RE | 0.429907 | 0.701149 |
189 | NVA LMS | 0.429752 | 0.755319 |
190 | AFH | 0.429688 | 0.772727 |
191 | AYB | 0.42963 | 0.829545 |
192 | CNA | 0.42963 | 0.831325 |
193 | A4P | 0.428571 | 0.723404 |
194 | 3DH | 0.428571 | 0.710843 |
195 | YSA | 0.428571 | 0.741935 |
196 | A3P | 0.427273 | 0.814815 |
197 | PO4 PO4 A A A A PO4 | 0.42623 | 0.825 |
198 | D4F | 0.425532 | 0.837209 |
199 | NAD BBN | 0.424837 | 0.758242 |
200 | SFG | 0.424779 | 0.753086 |
201 | 5X8 | 0.424779 | 0.743902 |
202 | N01 | 0.42446 | 0.851852 |
203 | 649 | 0.424242 | 0.784946 |
204 | J7C | 0.422018 | 0.689655 |
205 | 7C5 | 0.421875 | 0.752941 |
206 | G3A | 0.421875 | 0.781609 |
207 | 8PZ | 0.420635 | 0.741935 |
208 | 9K8 | 0.419355 | 0.736842 |
209 | NAD CJ3 | 0.419355 | 0.771739 |
210 | 7D5 | 0.419048 | 0.761905 |
211 | G5P | 0.418605 | 0.781609 |
212 | M24 | 0.41844 | 0.784091 |
213 | GJV | 0.418182 | 0.712644 |
214 | EP4 | 0.417476 | 0.674419 |
215 | PAP | 0.417391 | 0.804878 |
216 | B1U | 0.417323 | 0.721649 |
217 | Z5A | 0.416667 | 0.78022 |
218 | GTA | 0.415385 | 0.775281 |
219 | A2P | 0.414414 | 0.802469 |
220 | SAH | 0.413793 | 0.768293 |
221 | O02 | 0.413793 | 0.781609 |
222 | M2T | 0.413462 | 0.697674 |
223 | NMN AMP PO4 | 0.413043 | 0.821429 |
224 | DSH | 0.412844 | 0.75 |
225 | T5A | 0.411765 | 0.777778 |
226 | V47 | 0.411765 | 0.7625 |
227 | 139 | 0.411765 | 0.804598 |
228 | 3AM | 0.411215 | 0.780488 |
229 | UPA | 0.410448 | 0.790698 |
230 | 4TC | 0.410448 | 0.781609 |
231 | V3L | 0.410256 | 0.839506 |
232 | N0B | 0.409722 | 0.83908 |
233 | 2A5 | 0.408696 | 0.797619 |
234 | 80F | 0.407143 | 0.797753 |
235 | AAT | 0.40678 | 0.752941 |
236 | UP5 | 0.406015 | 0.8 |
237 | S4M | 0.405405 | 0.711111 |
238 | 7D3 | 0.405405 | 0.764706 |
239 | HYC | 0.405229 | 0.770115 |
240 | ATR | 0.405172 | 0.792683 |
241 | 4YB | 0.40458 | 0.763441 |
242 | FAD T2C | 0.403614 | 0.770833 |
243 | NWW | 0.401961 | 0.675 |
244 | SMM | 0.4 | 0.730337 |
No: | Ligand | Similarity coefficient |
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