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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 26 families. | |||||
1 | 4YNM | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
2 | 4YPE | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
3 | 4YPA | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 21 families. | |||||
1 | 3OOI | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
2 | 6KQQ | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
3 | 6KQP | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
4 | 6CEN | ic50 = 3.2 uM | ACE GLY VAL NLE ARG ILE NH2 | n/a | n/a |
5 | 4YNM | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
6 | 4YPE | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
7 | 4YPA | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | SAM | 1 | 1 |
2 | SMM | 0.792683 | 0.96 |
3 | S4M | 0.6875 | 0.909091 |
4 | S7M | 0.670455 | 0.945946 |
5 | M2T | 0.636364 | 0.878378 |
6 | GEK | 0.612903 | 0.931507 |
7 | SAI | 0.571429 | 0.878378 |
8 | ADN | 0.565789 | 0.773333 |
9 | RAB | 0.565789 | 0.773333 |
10 | XYA | 0.565789 | 0.773333 |
11 | 5CD | 0.564103 | 0.783784 |
12 | EP4 | 0.5625 | 0.826667 |
13 | SA8 | 0.56044 | 0.945205 |
14 | SFG | 0.555556 | 0.875 |
15 | 5X8 | 0.555556 | 0.888889 |
16 | 5N5 | 0.551282 | 0.773333 |
17 | A4D | 0.544304 | 0.797297 |
18 | EEM | 0.542553 | 0.945946 |
19 | SAH | 0.537634 | 0.916667 |
20 | EU9 | 0.537037 | 0.809524 |
21 | DTA | 0.536585 | 0.789474 |
22 | 62X | 0.535354 | 0.884615 |
23 | MTA | 0.53012 | 0.875 |
24 | 3DH | 0.517647 | 0.849315 |
25 | AMP MG | 0.517241 | 0.7375 |
26 | 5AL | 0.510417 | 0.743902 |
27 | VMS | 0.510204 | 0.673913 |
28 | 54H | 0.510204 | 0.673913 |
29 | 0UM | 0.51 | 0.857143 |
30 | NWW | 0.506173 | 0.739726 |
31 | LMS | 0.505747 | 0.666667 |
32 | AMP | 0.505747 | 0.707317 |
33 | A | 0.505747 | 0.707317 |
34 | 45A | 0.505618 | 0.753086 |
35 | ABM | 0.505618 | 0.753086 |
36 | A5A | 0.505155 | 0.688889 |
37 | SSA | 0.5 | 0.684783 |
38 | 5AD | 0.5 | 0.75 |
39 | SON | 0.5 | 0.746988 |
40 | 6RE | 0.5 | 0.78481 |
41 | SRP | 0.5 | 0.746988 |
42 | K15 | 0.5 | 0.883117 |
43 | LSS | 0.49505 | 0.706522 |
44 | CA0 | 0.494624 | 0.714286 |
45 | AP2 | 0.494505 | 0.705882 |
46 | A12 | 0.494505 | 0.705882 |
47 | ME8 | 0.490385 | 0.841463 |
48 | TSB | 0.49 | 0.681319 |
49 | 5CA | 0.49 | 0.684783 |
50 | DAL AMP | 0.49 | 0.765432 |
51 | 53H | 0.49 | 0.666667 |
52 | ACP | 0.489362 | 0.694118 |
53 | KG4 | 0.489362 | 0.714286 |
54 | ADP | 0.48913 | 0.690476 |
55 | 5AS | 0.48913 | 0.648936 |
56 | J7C | 0.488889 | 0.772152 |
57 | A2D | 0.488889 | 0.690476 |
58 | ZAS | 0.488636 | 0.769231 |
59 | 8QN | 0.485149 | 0.743902 |
60 | 9ZD | 0.485149 | 0.729412 |
61 | 9ZA | 0.485149 | 0.729412 |
62 | 8LH | 0.484848 | 0.746988 |
63 | GAP | 0.484536 | 0.73494 |
64 | AN2 | 0.483871 | 0.682353 |
65 | A3S | 0.483871 | 0.813333 |
66 | ADP BEF | 0.483871 | 0.728395 |
67 | ADP MG | 0.483871 | 0.728395 |
68 | A7D | 0.483871 | 0.851351 |
69 | GJV | 0.483516 | 0.775 |
70 | SRA | 0.483146 | 0.694118 |
71 | GSU | 0.480769 | 0.722222 |
72 | KAA | 0.480769 | 0.698925 |
73 | LAD | 0.480769 | 0.752941 |
74 | DSZ | 0.480392 | 0.703297 |
75 | AMO | 0.480392 | 0.746988 |
76 | 52H | 0.48 | 0.666667 |
77 | 8LE | 0.479592 | 0.717647 |
78 | APC MG | 0.479167 | 0.731707 |
79 | M33 | 0.478723 | 0.722892 |
80 | BA3 | 0.478261 | 0.690476 |
81 | MAO | 0.478261 | 0.82716 |
82 | AOC | 0.477778 | 0.776316 |
83 | NEC | 0.477778 | 0.75 |
84 | DSH | 0.477778 | 0.842105 |
85 | SXZ | 0.47619 | 0.894737 |
86 | NVA LMS | 0.475728 | 0.736264 |
87 | AHX | 0.475728 | 0.701149 |
88 | Y3J | 0.47561 | 0.706667 |
89 | 8LQ | 0.475248 | 0.768293 |
90 | QA7 | 0.475248 | 0.738095 |
91 | G5A | 0.474227 | 0.684783 |
92 | A3T | 0.473684 | 0.8 |
93 | B4P | 0.473118 | 0.690476 |
94 | AP5 | 0.473118 | 0.690476 |
95 | A3N | 0.472527 | 0.766234 |
96 | KB1 | 0.471698 | 0.833333 |
97 | LEU LMS | 0.471154 | 0.752809 |
98 | PRX | 0.46875 | 0.73494 |
99 | APC | 0.46875 | 0.705882 |
100 | AT4 | 0.468085 | 0.686047 |
101 | 4AD | 0.466019 | 0.759036 |
102 | PAJ | 0.466019 | 0.712644 |
103 | NWQ | 0.465909 | 0.767123 |
104 | V2G | 0.464646 | 0.701149 |
105 | ATP MG | 0.463918 | 0.728395 |
106 | ADP PO3 | 0.463918 | 0.728395 |
107 | ADV | 0.463918 | 0.72619 |
108 | RBY | 0.463918 | 0.72619 |
109 | ADX | 0.463158 | 0.666667 |
110 | MHZ | 0.463158 | 0.82716 |
111 | AU1 | 0.463158 | 0.674419 |
112 | NB8 | 0.462264 | 0.72093 |
113 | TXA | 0.462264 | 0.72619 |
114 | A3G | 0.461538 | 0.802632 |
115 | ANP MG | 0.46 | 0.702381 |
116 | VO4 ADP | 0.46 | 0.694118 |
117 | BEF ADP | 0.459184 | 0.710843 |
118 | VRT | 0.459184 | 0.842105 |
119 | XAH | 0.458716 | 0.715909 |
120 | KYE | 0.458716 | 0.802469 |
121 | YSA | 0.458716 | 0.684783 |
122 | 50T | 0.458333 | 0.682353 |
123 | ATP | 0.458333 | 0.690476 |
124 | H1Q | 0.458333 | 0.719512 |
125 | HEJ | 0.458333 | 0.690476 |
126 | 7D7 | 0.45679 | 0.723684 |
127 | V47 | 0.455446 | 0.810811 |
128 | KH3 | 0.455357 | 0.871795 |
129 | ACQ | 0.454545 | 0.694118 |
130 | AR6 | 0.453608 | 0.710843 |
131 | APR | 0.453608 | 0.710843 |
132 | 5FA | 0.453608 | 0.690476 |
133 | AQP | 0.453608 | 0.690476 |
134 | NSS | 0.451923 | 0.703297 |
135 | FA5 | 0.449541 | 0.746988 |
136 | AGS | 0.44898 | 0.678161 |
137 | A5D | 0.44898 | 0.789474 |
138 | AD9 | 0.44898 | 0.674419 |
139 | PTJ | 0.448598 | 0.72093 |
140 | YLB | 0.448276 | 0.758621 |
141 | YLP | 0.447368 | 0.738636 |
142 | OZP | 0.447368 | 0.844156 |
143 | 8X1 | 0.446602 | 0.680851 |
144 | D3Y | 0.446602 | 0.792208 |
145 | N5O | 0.445652 | 0.789474 |
146 | ALF ADP | 0.445545 | 0.678161 |
147 | 3AM | 0.444444 | 0.674699 |
148 | MYR AMP | 0.444444 | 0.776471 |
149 | HY8 | 0.443478 | 0.822785 |
150 | OAD | 0.443396 | 0.73494 |
151 | 2VA | 0.443299 | 0.779221 |
152 | KXW | 0.442478 | 0.844156 |
153 | QXP | 0.442308 | 0.67033 |
154 | S8M | 0.442308 | 0.831169 |
155 | OOB | 0.442308 | 0.722892 |
156 | 6YZ | 0.441176 | 0.694118 |
157 | T99 | 0.44 | 0.686047 |
158 | ANP | 0.44 | 0.674419 |
159 | TAT | 0.44 | 0.686047 |
160 | N37 | 0.439655 | 0.828947 |
161 | WAQ | 0.439252 | 0.75 |
162 | HZ2 | 0.438596 | 0.822785 |
163 | 8PZ | 0.436364 | 0.684783 |
164 | B5Y | 0.436364 | 0.717647 |
165 | N5A | 0.43617 | 0.786667 |
166 | F0P | 0.435897 | 0.844156 |
167 | YLC | 0.435897 | 0.755814 |
168 | AAT | 0.435644 | 0.797468 |
169 | 1ZZ | 0.435185 | 0.755814 |
170 | 3OD | 0.435185 | 0.73494 |
171 | 9K8 | 0.435185 | 0.663158 |
172 | NVA 2AD | 0.434343 | 0.855263 |
173 | 00A | 0.433962 | 0.689655 |
174 | DLL | 0.433962 | 0.722892 |
175 | 7MD | 0.433628 | 0.715909 |
176 | ARG AMP | 0.433628 | 0.727273 |
177 | ATF | 0.431373 | 0.666667 |
178 | SO8 | 0.43 | 0.792208 |
179 | A6D | 0.429907 | 0.72619 |
180 | QXG | 0.429907 | 0.663043 |
181 | 9X8 | 0.429907 | 0.717647 |
182 | 3UK | 0.429907 | 0.714286 |
183 | F2R | 0.429752 | 0.7 |
184 | OZV | 0.428571 | 0.690476 |
185 | AMP DBH | 0.428571 | 0.714286 |
186 | 5SV | 0.428571 | 0.741176 |
187 | TYM | 0.42735 | 0.746988 |
188 | WSA | 0.42735 | 0.692308 |
189 | 9SN | 0.427273 | 0.681818 |
190 | AHZ | 0.426087 | 0.755814 |
191 | PR8 | 0.425926 | 0.744186 |
192 | B5V | 0.425926 | 0.705882 |
193 | J4G | 0.425926 | 0.759036 |
194 | 3NZ | 0.425926 | 0.807692 |
195 | P5A | 0.425926 | 0.691489 |
196 | R2V | 0.425926 | 0.67033 |
197 | A1R | 0.424528 | 0.709302 |
198 | 2A5 | 0.424242 | 0.674419 |
199 | Q34 | 0.423729 | 0.802469 |
200 | 7MC | 0.423729 | 0.719101 |
201 | Q2M | 0.423729 | 0.846154 |
202 | B5M | 0.423423 | 0.717647 |
203 | HQG | 0.423077 | 0.702381 |
204 | U4Y | 0.422414 | 0.88 |
205 | 7D5 | 0.422222 | 0.658824 |
206 | JB6 | 0.422018 | 0.709302 |
207 | FYA | 0.422018 | 0.722892 |
208 | AYB | 0.421488 | 0.75 |
209 | JNT | 0.420561 | 0.694118 |
210 | K2H | 0.420561 | 0.805195 |
211 | B1U | 0.419643 | 0.632653 |
212 | MAP | 0.419048 | 0.659091 |
213 | KY2 | 0.419048 | 0.777778 |
214 | A22 | 0.419048 | 0.682353 |
215 | 2AM | 0.417582 | 0.666667 |
216 | TAD | 0.417391 | 0.712644 |
217 | ADP BMA | 0.416667 | 0.714286 |
218 | A3P | 0.416667 | 0.686747 |
219 | 25A | 0.415094 | 0.690476 |
220 | Q2V | 0.413223 | 0.833333 |
221 | YLA | 0.413223 | 0.719101 |
222 | K2K | 0.412844 | 0.807692 |
223 | 8Q2 | 0.411765 | 0.663158 |
224 | KYB | 0.411215 | 0.777778 |
225 | A3R | 0.411215 | 0.709302 |
226 | ADQ | 0.411215 | 0.694118 |
227 | KMQ | 0.410714 | 0.72619 |
228 | 48N | 0.410256 | 0.72093 |
229 | 0XU | 0.41 | 0.824324 |
230 | GA7 | 0.408696 | 0.72619 |
231 | K3H | 0.40708 | 0.775 |
232 | 7D3 | 0.40625 | 0.643678 |
233 | PAP | 0.405941 | 0.678571 |
234 | DQV | 0.405172 | 0.702381 |
235 | OVE | 0.404255 | 0.662791 |
236 | 4UV | 0.403509 | 0.697674 |
237 | ALF ADP 3PG | 0.403361 | 0.712644 |
238 | AF3 ADP 3PG | 0.403361 | 0.712644 |
239 | Q2P | 0.403226 | 0.802469 |
240 | 3AD | 0.402299 | 0.783784 |
241 | 2BA | 0.402062 | 0.682927 |
242 | CMP | 0.402062 | 0.691358 |
243 | K38 | 0.401786 | 0.7375 |
244 | NAD TDB | 0.4 | 0.731707 |
245 | 7C5 | 0.4 | 0.731707 |
246 | NAD IBO | 0.4 | 0.731707 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | TT8 | 0.9650 |
2 | GDP | 0.9145 |
3 | 8OD | 0.9006 |
4 | NWZ | 0.8954 |
5 | IDP | 0.8910 |
6 | CUU | 0.8833 |
7 | GNH | 0.8826 |
8 | KB7 | 0.8802 |
9 | DTP | 0.8779 |
10 | GDP MG | 0.8767 |
11 | M7G | 0.8755 |
12 | G8D | 0.8722 |
13 | DZ4 | 0.8710 |
14 | GTP | 0.8703 |
15 | DAT | 0.8676 |
16 | DGT | 0.8665 |
17 | GNP | 0.8658 |
18 | AV2 | 0.8650 |
19 | HF7 | 0.8632 |
20 | DGI | 0.8627 |
21 | HDV | 0.8586 |
22 | GCP | 0.8586 |
23 | TTP | 0.8585 |
24 | FZT | 0.8567 |
25 | GSP | 0.8566 |
26 | CTP | 0.8538 |