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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 4 families. | |||||
1 | 4WKP | - | 3QA | C17 H27 N5 O3 S | c1c(c2c([n.... |
2 | 6DYV | Kd = 0.026 nM | OS3 | C17 H23 N5 O S | C#CCCCSC[C.... |
3 | 4YNB | Ki = 0.043 nM | 4EH | C16 H19 N7 O S | c1cnc(cn1).... |
4 | 4FFS | Kd = 36 pM | BIG | C16 H25 N5 O S | CCCCSC[C@H.... |
5 | 6DYY | Kd = 0.028 nM | OS6 | C21 H32 N8 O S | CCCCn1cc(n.... |
6 | 3NM6 | - | TRS | C4 H12 N O3 | C(C(CO)(CO.... |
7 | 4WKN | Ki = 0.19 nM | TDI | C13 H19 N5 O S | CSC[C@H]1C.... |
8 | 4OY3 | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
9 | 5KB3 | Kd = 570 pM | 4CT | C18 H20 Cl N5 O S | c1cc(ccc1S.... |
10 | 4YO8 | Ki = 0.03 nM | 4EZ | C14 H23 N5 O | CCCCCCN(Cc.... |
11 | 4P54 | - | MTA | C11 H15 N5 O3 S | CSC[C@@H]1.... |
12 | 3NM5 | - | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
13 | 4WKO | Ki = 0.34 nM | GMD | C16 H25 N5 O2 S | c1c(c2c([n.... |
14 | 6DYW | Kd = 0.036 nM | OS5 | C24 H30 N8 O S | c1ccc(cc1).... |
15 | 6DYU | Kd = 0.055 nM | OS2 | C15 H19 N5 O S | C#CCSC[C@H.... |
16 | 4OJT | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
17 | 4BMZ | - | MTA | C11 H15 N5 O3 S | CSC[C@@H]1.... |
18 | 4BMX | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 3DF9 | - | DF9 | C19 H23 N5 O S | c1ccc(cc1).... |
2 | 4F1W | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
3 | 1Y6Q | Ki = 2 pM | TDI | C13 H19 N5 O S | CSC[C@H]1C.... |
4 | 4YML | Ki = 4.5 nM | 4F0 | C13 H19 N5 O S | CSC[C@@H]1.... |
5 | 1NC3 | Ki = 10 uM | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
6 | 4WKC | Ki = 0.21 pM | BIG | C16 H25 N5 O S | CCCCSC[C@H.... |
7 | 1JYS | Ki = 300 uM | ADE | C5 H5 N5 | c1[nH]c2c(.... |
8 | 4F2W | Ki = 5 pM | TDI | C13 H19 N5 O S | CSC[C@H]1C.... |
9 | 1NC1 | Ki = 0.75 uM | MTH | C12 H16 N4 O3 S | CSC[C@@H]1.... |
10 | 1Z5N | Ki = 300 uM | ADE | C5 H5 N5 | c1[nH]c2c(.... |
11 | 4F2P | Ki = 5 pM | 2EL | C16 H25 N5 O3 S | c1c(c2c([n.... |
12 | 1Y6R | Ki = 77 pM | MTM | C12 H19 N5 O2 S | CSC[C@@H]1.... |
13 | 4F3C | Ki = 1.5 pM | BIG | C16 H25 N5 O S | CCCCSC[C@H.... |
14 | 4F3K | Ki = 69 pM | HCE | C16 H24 N6 O3 S | c1c(c2c([n.... |
15 | 1Z5O | - | MTA | C11 H15 N5 O3 S | CSC[C@@H]1.... |
16 | 1ZOS | Ki = 1 uM | MTM | C12 H19 N5 O2 S | CSC[C@@H]1.... |
17 | 4WKP | - | 3QA | C17 H27 N5 O3 S | c1c(c2c([n.... |
18 | 6DYV | Kd = 0.026 nM | OS3 | C17 H23 N5 O S | C#CCCCSC[C.... |
19 | 4YNB | Ki = 0.043 nM | 4EH | C16 H19 N7 O S | c1cnc(cn1).... |
20 | 4FFS | Kd = 36 pM | BIG | C16 H25 N5 O S | CCCCSC[C@H.... |
21 | 6DYY | Kd = 0.028 nM | OS6 | C21 H32 N8 O S | CCCCn1cc(n.... |
22 | 3NM6 | - | TRS | C4 H12 N O3 | C(C(CO)(CO.... |
23 | 4WKN | Ki = 0.19 nM | TDI | C13 H19 N5 O S | CSC[C@H]1C.... |
24 | 4OY3 | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
25 | 5KB3 | Kd = 570 pM | 4CT | C18 H20 Cl N5 O S | c1cc(ccc1S.... |
26 | 4YO8 | Ki = 0.03 nM | 4EZ | C14 H23 N5 O | CCCCCCN(Cc.... |
27 | 4P54 | - | MTA | C11 H15 N5 O3 S | CSC[C@@H]1.... |
28 | 3NM5 | - | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
29 | 4WKO | Ki = 0.34 nM | GMD | C16 H25 N5 O2 S | c1c(c2c([n.... |
30 | 6DYW | Kd = 0.036 nM | OS5 | C24 H30 N8 O S | c1ccc(cc1).... |
31 | 6DYU | Kd = 0.055 nM | OS2 | C15 H19 N5 O S | C#CCSC[C@H.... |
32 | 4OJT | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
33 | 4X24 | Ki = 166 pM | TDI | C13 H19 N5 O S | CSC[C@H]1C.... |
34 | 3DP9 | Kd = 208 pM | BIG | C16 H25 N5 O S | CCCCSC[C@H.... |
35 | 4WKB | Ki = 2.7 pM | TDI | C13 H19 N5 O S | CSC[C@H]1C.... |
36 | 4BMZ | - | MTA | C11 H15 N5 O3 S | CSC[C@@H]1.... |
37 | 4BMX | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
38 | 3BL6 | - | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
39 | 6AYR | Ki = 4.1 nM | BIG | C16 H25 N5 O S | CCCCSC[C@H.... |
40 | 6AYQ | Ki = 6.5 nM | TDI | C13 H19 N5 O S | CSC[C@H]1C.... |
41 | 6AYO | Ki = 5.1 nM | C1Y | C14 H21 N5 O | CCC[C@H]1C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | MTA | 1 | 1 |
2 | DTA | 0.786885 | 0.867647 |
3 | 3DH | 0.777778 | 0.938462 |
4 | RAB | 0.758621 | 0.878788 |
5 | XYA | 0.758621 | 0.878788 |
6 | ADN | 0.758621 | 0.878788 |
7 | DSH | 0.705882 | 0.84507 |
8 | 5N5 | 0.704918 | 0.878788 |
9 | A4D | 0.693548 | 0.907692 |
10 | 5CD | 0.693548 | 0.892308 |
11 | EP4 | 0.6875 | 0.939394 |
12 | M2T | 0.676923 | 0.940298 |
13 | A7D | 0.657534 | 0.882353 |
14 | 5X8 | 0.64 | 0.895522 |
15 | 5AD | 0.639344 | 0.857143 |
16 | A | 0.628571 | 0.794521 |
17 | LMS | 0.628571 | 0.719512 |
18 | ZAS | 0.628571 | 0.816901 |
19 | AMP | 0.628571 | 0.794521 |
20 | A5D | 0.623377 | 0.867647 |
21 | SAH | 0.615385 | 0.869565 |
22 | J7C | 0.60274 | 0.794521 |
23 | ABM | 0.60274 | 0.821918 |
24 | 45A | 0.60274 | 0.821918 |
25 | AAT | 0.6 | 0.797297 |
26 | AMP MG | 0.597222 | 0.805556 |
27 | 6RE | 0.597222 | 0.783784 |
28 | SRA | 0.597222 | 0.776316 |
29 | S4M | 0.594595 | 0.84 |
30 | AOC | 0.589041 | 0.880597 |
31 | MAO | 0.586667 | 0.805195 |
32 | S8M | 0.583333 | 0.833333 |
33 | A3N | 0.581081 | 0.867647 |
34 | A2D | 0.581081 | 0.773333 |
35 | 5AS | 0.578947 | 0.697674 |
36 | GJV | 0.573333 | 0.773333 |
37 | NWW | 0.567164 | 0.815385 |
38 | BA3 | 0.565789 | 0.773333 |
39 | AP2 | 0.565789 | 0.74359 |
40 | A12 | 0.565789 | 0.74359 |
41 | M33 | 0.564103 | 0.810811 |
42 | MHZ | 0.564103 | 0.805195 |
43 | AU1 | 0.564103 | 0.753247 |
44 | ADX | 0.564103 | 0.719512 |
45 | ADP | 0.558442 | 0.773333 |
46 | B4P | 0.558442 | 0.773333 |
47 | AP5 | 0.558442 | 0.773333 |
48 | 7D7 | 0.553846 | 0.794118 |
49 | Y3J | 0.552239 | 0.80303 |
50 | SON | 0.551282 | 0.74359 |
51 | ADP MG | 0.551282 | 0.794521 |
52 | ADP BEF | 0.551282 | 0.794521 |
53 | AT4 | 0.551282 | 0.766234 |
54 | AN2 | 0.551282 | 0.763158 |
55 | SXZ | 0.550562 | 0.849315 |
56 | PRX | 0.55 | 0.8 |
57 | A6D | 0.545455 | 0.766234 |
58 | CA0 | 0.544304 | 0.753247 |
59 | SA8 | 0.54321 | 0.873239 |
60 | AD9 | 0.54321 | 0.753247 |
61 | EEM | 0.542169 | 0.849315 |
62 | ATP | 0.5375 | 0.773333 |
63 | SFG | 0.5375 | 0.826087 |
64 | KG4 | 0.5375 | 0.753247 |
65 | H1Q | 0.5375 | 0.783784 |
66 | ACP | 0.5375 | 0.753247 |
67 | HEJ | 0.5375 | 0.773333 |
68 | 50T | 0.5375 | 0.763158 |
69 | AR6 | 0.530864 | 0.773333 |
70 | AQP | 0.530864 | 0.773333 |
71 | 5FA | 0.530864 | 0.773333 |
72 | APC | 0.530864 | 0.74359 |
73 | APR | 0.530864 | 0.773333 |
74 | ANP | 0.53012 | 0.753247 |
75 | SAM | 0.53012 | 0.875 |
76 | SMM | 0.529412 | 0.84 |
77 | 3AM | 0.527027 | 0.756757 |
78 | NEC | 0.526316 | 0.823529 |
79 | AGS | 0.52439 | 0.75641 |
80 | APC MG | 0.52439 | 0.773333 |
81 | ADV | 0.52439 | 0.74359 |
82 | RBY | 0.52439 | 0.74359 |
83 | ADP PO3 | 0.52439 | 0.794521 |
84 | ATP MG | 0.52439 | 0.794521 |
85 | 8LE | 0.52381 | 0.75641 |
86 | 5AL | 0.52381 | 0.786667 |
87 | V2G | 0.52381 | 0.716049 |
88 | VMS | 0.523256 | 0.705882 |
89 | 54H | 0.523256 | 0.705882 |
90 | 3AD | 0.521739 | 0.863636 |
91 | MTH | 0.520548 | 0.984127 |
92 | SAI | 0.518072 | 0.830986 |
93 | BEF ADP | 0.518072 | 0.773333 |
94 | G5A | 0.518072 | 0.678161 |
95 | A5A | 0.517647 | 0.722892 |
96 | ME8 | 0.516484 | 0.797468 |
97 | NWQ | 0.513514 | 0.846154 |
98 | GAP | 0.511905 | 0.753247 |
99 | TAT | 0.511905 | 0.766234 |
100 | ACQ | 0.511905 | 0.753247 |
101 | T99 | 0.511905 | 0.766234 |
102 | S7M | 0.511628 | 0.824324 |
103 | 8LH | 0.511628 | 0.789474 |
104 | 8QN | 0.511364 | 0.786667 |
105 | 9ZA | 0.511364 | 0.769231 |
106 | 9ZD | 0.511364 | 0.769231 |
107 | CC5 | 0.507463 | 0.876923 |
108 | A3G | 0.506494 | 0.828571 |
109 | A3P | 0.506329 | 0.77027 |
110 | HQG | 0.505747 | 0.763158 |
111 | 52H | 0.505747 | 0.697674 |
112 | NVA LMS | 0.5 | 0.693182 |
113 | VO4 ADP | 0.5 | 0.753247 |
114 | KY2 | 0.5 | 0.776316 |
115 | ATF | 0.5 | 0.74359 |
116 | MAP | 0.5 | 0.734177 |
117 | ALF ADP | 0.5 | 0.734177 |
118 | MTP | 0.5 | 0.828571 |
119 | 8LQ | 0.5 | 0.789474 |
120 | 7D5 | 0.5 | 0.714286 |
121 | ANP MG | 0.5 | 0.763158 |
122 | 53H | 0.5 | 0.697674 |
123 | DAL AMP | 0.5 | 0.786667 |
124 | TSB | 0.5 | 0.714286 |
125 | QA7 | 0.5 | 0.779221 |
126 | 8X1 | 0.5 | 0.655556 |
127 | U4Y | 0.494949 | 0.833333 |
128 | 5SV | 0.494382 | 0.759494 |
129 | 25A | 0.494382 | 0.773333 |
130 | 6YZ | 0.494253 | 0.753247 |
131 | SRP | 0.494253 | 0.74359 |
132 | V47 | 0.494253 | 0.838235 |
133 | SSA | 0.494253 | 0.678161 |
134 | 2AM | 0.493333 | 0.746667 |
135 | 26A | 0.492958 | 0.867647 |
136 | A3R | 0.488889 | 0.725 |
137 | PAJ | 0.488889 | 0.75 |
138 | LSS | 0.488889 | 0.701149 |
139 | KYB | 0.488889 | 0.776316 |
140 | A1R | 0.488889 | 0.725 |
141 | ADQ | 0.488889 | 0.753247 |
142 | DSZ | 0.488889 | 0.678161 |
143 | 0UM | 0.488889 | 0.810811 |
144 | N5O | 0.487179 | 0.788732 |
145 | KL2 | 0.486486 | 0.72 |
146 | 3OD | 0.483871 | 0.776316 |
147 | 62X | 0.483516 | 0.815789 |
148 | AHX | 0.483516 | 0.716049 |
149 | K2H | 0.483516 | 0.911765 |
150 | 5CA | 0.483146 | 0.678161 |
151 | A22 | 0.483146 | 0.763158 |
152 | 2VA | 0.481928 | 0.855072 |
153 | A3T | 0.481928 | 0.880597 |
154 | SP1 | 0.480519 | 0.75 |
155 | RP1 | 0.480519 | 0.75 |
156 | 3D1 | 0.478873 | 0.8 |
157 | 3L1 | 0.478873 | 0.8 |
158 | LEU LMS | 0.478261 | 0.709302 |
159 | 9X8 | 0.478261 | 0.779221 |
160 | K15 | 0.478261 | 0.813333 |
161 | OAD | 0.478261 | 0.776316 |
162 | QXP | 0.477778 | 0.702381 |
163 | OZV | 0.477778 | 0.773333 |
164 | GEK | 0.477778 | 0.833333 |
165 | OOB | 0.477778 | 0.763158 |
166 | A3S | 0.47561 | 0.84058 |
167 | N5A | 0.475 | 0.785714 |
168 | OVE | 0.474359 | 0.74026 |
169 | K2K | 0.473118 | 0.808219 |
170 | P5A | 0.473118 | 0.648352 |
171 | PR8 | 0.473118 | 0.698795 |
172 | NSS | 0.472527 | 0.678161 |
173 | AMO | 0.472527 | 0.74359 |
174 | 4AD | 0.472527 | 0.734177 |
175 | 6MD | 0.472222 | 0.893939 |
176 | 2FA | 0.472222 | 0.816901 |
177 | NOC | 0.471429 | 0.791045 |
178 | NVA 2AD | 0.470588 | 0.833333 |
179 | A2P | 0.469136 | 0.756757 |
180 | 2BA | 0.469136 | 0.767123 |
181 | CMP | 0.469136 | 0.777778 |
182 | TXA | 0.468085 | 0.766234 |
183 | 9K8 | 0.468085 | 0.674157 |
184 | 1ZZ | 0.468085 | 0.731707 |
185 | PTJ | 0.468085 | 0.759494 |
186 | QQX | 0.467532 | 0.714286 |
187 | DLL | 0.467391 | 0.763158 |
188 | 00A | 0.467391 | 0.725 |
189 | JNT | 0.467391 | 0.753247 |
190 | 5F1 | 0.465753 | 0.782609 |
191 | KY5 | 0.463158 | 0.819444 |
192 | MYR AMP | 0.463158 | 0.731707 |
193 | 3UK | 0.462366 | 0.753247 |
194 | QXG | 0.462366 | 0.694118 |
195 | ADP BMA | 0.462366 | 0.753247 |
196 | ACK | 0.461538 | 0.739726 |
197 | QQY | 0.461538 | 0.723684 |
198 | B5V | 0.457447 | 0.74359 |
199 | R2V | 0.457447 | 0.702381 |
200 | LAD | 0.457447 | 0.707317 |
201 | KY8 | 0.457447 | 0.797297 |
202 | GSU | 0.457447 | 0.678161 |
203 | WAQ | 0.457447 | 0.725 |
204 | KAA | 0.457447 | 0.655556 |
205 | PPS | 0.454545 | 0.698795 |
206 | B5Y | 0.453608 | 0.75641 |
207 | KMQ | 0.453608 | 0.766234 |
208 | B5M | 0.453608 | 0.75641 |
209 | PAP | 0.453488 | 0.76 |
210 | FYA | 0.452632 | 0.763158 |
211 | BIS | 0.452632 | 0.725 |
212 | NB8 | 0.452632 | 0.716049 |
213 | JB6 | 0.452632 | 0.746835 |
214 | 1DA | 0.452055 | 0.878788 |
215 | KYE | 0.44898 | 0.75641 |
216 | K3H | 0.44898 | 0.873239 |
217 | XAH | 0.44898 | 0.690476 |
218 | SO8 | 0.448276 | 0.869565 |
219 | VRT | 0.448276 | 0.84507 |
220 | 25L | 0.447917 | 0.763158 |
221 | KB1 | 0.447917 | 0.786667 |
222 | 4UV | 0.444444 | 0.734177 |
223 | 9SN | 0.443299 | 0.716049 |
224 | K38 | 0.443299 | 0.830986 |
225 | NX8 | 0.443182 | 0.783784 |
226 | V3L | 0.443182 | 0.773333 |
227 | NWZ | 0.44186 | 0.77027 |
228 | LAQ | 0.441176 | 0.710843 |
229 | 7D3 | 0.439024 | 0.696203 |
230 | FA5 | 0.438776 | 0.74359 |
231 | ATP A | 0.438776 | 0.783784 |
232 | K3K | 0.438776 | 0.830986 |
233 | ATP A A A | 0.438776 | 0.783784 |
234 | 8PZ | 0.438776 | 0.678161 |
235 | J1A | 0.4375 | 0.740741 |
236 | LPA AMP | 0.436893 | 0.710843 |
237 | J1C | 0.435897 | 0.67033 |
238 | GA7 | 0.435644 | 0.789474 |
239 | AFH | 0.435644 | 0.707317 |
240 | 7MD | 0.435644 | 0.690476 |
241 | 4UU | 0.435644 | 0.734177 |
242 | J1B | 0.434783 | 0.67033 |
243 | K2W | 0.434343 | 0.786667 |
244 | B1U | 0.434343 | 0.641304 |
245 | YSA | 0.434343 | 0.678161 |
246 | 4UW | 0.432692 | 0.75 |
247 | TXD | 0.432692 | 0.746835 |
248 | ARJ | 0.432432 | 0.776119 |
249 | MCF | 0.432099 | 0.842857 |
250 | GTA | 0.431373 | 0.731707 |
251 | KXW | 0.431373 | 0.797297 |
252 | TAD | 0.431373 | 0.728395 |
253 | 4YB | 0.431373 | 0.662921 |
254 | KH3 | 0.431373 | 0.802632 |
255 | AMP DBH | 0.43 | 0.753247 |
256 | K3E | 0.43 | 0.819444 |
257 | IVH | 0.428571 | 0.813333 |
258 | HZ2 | 0.427184 | 0.776316 |
259 | AHZ | 0.427184 | 0.731707 |
260 | 3NZ | 0.427083 | 0.833333 |
261 | G3A | 0.425743 | 0.716049 |
262 | 7C5 | 0.425743 | 0.773333 |
263 | 2A5 | 0.425287 | 0.708861 |
264 | ERJ | 0.425 | 0.835821 |
265 | AP0 | 0.424528 | 0.7375 |
266 | Q2M | 0.424528 | 0.8 |
267 | L3W | 0.424528 | 0.74359 |
268 | 7MC | 0.424528 | 0.694118 |
269 | TT8 | 0.423913 | 0.898551 |
270 | 48N | 0.423077 | 0.7375 |
271 | YLP | 0.423077 | 0.694118 |
272 | KOY | 0.423077 | 0.805556 |
273 | H73 | 0.422764 | 0.663043 |
274 | CNA | 0.422018 | 0.74359 |
275 | ARG AMP | 0.421569 | 0.682353 |
276 | G5P | 0.421569 | 0.716049 |
277 | AR6 AR6 | 0.421569 | 0.773333 |
278 | ATR | 0.420455 | 0.746667 |
279 | 101 | 0.419753 | 0.714286 |
280 | D3Y | 0.419355 | 0.816901 |
281 | EU9 | 0.419048 | 0.722892 |
282 | NAI | 0.419048 | 0.725 |
283 | NAX | 0.419048 | 0.698795 |
284 | HY8 | 0.419048 | 0.776316 |
285 | DND | 0.419048 | 0.74359 |
286 | 6V0 | 0.419048 | 0.716049 |
287 | 7D4 | 0.418605 | 0.696203 |
288 | DQV | 0.417476 | 0.763158 |
289 | KF5 | 0.416667 | 0.614286 |
290 | TXE | 0.415094 | 0.725 |
291 | 649 | 0.415094 | 0.648352 |
292 | OMR | 0.415094 | 0.722892 |
293 | DA | 0.414634 | 0.714286 |
294 | D5M | 0.414634 | 0.714286 |
295 | CUU | 0.413793 | 0.75 |
296 | ADJ | 0.412844 | 0.702381 |
297 | T5A | 0.412844 | 0.694118 |
298 | 139 | 0.412844 | 0.698795 |
299 | J4G | 0.412371 | 0.734177 |
300 | Q34 | 0.411215 | 0.75641 |
301 | NAD IBO | 0.411215 | 0.773333 |
302 | 8Q2 | 0.411215 | 0.655556 |
303 | YLB | 0.411215 | 0.714286 |
304 | F0P | 0.411215 | 0.797297 |
305 | YLC | 0.411215 | 0.710843 |
306 | NAD TDB | 0.411215 | 0.773333 |
307 | J1D | 0.410714 | 0.628866 |
308 | OZP | 0.409524 | 0.797297 |
309 | AYB | 0.409091 | 0.705882 |
310 | A2R | 0.408602 | 0.763158 |
311 | A4P | 0.407407 | 0.659091 |
312 | UP5 | 0.40566 | 0.734177 |
313 | F2R | 0.405405 | 0.674419 |
314 | 6MZ | 0.404762 | 0.808219 |
315 | IOT | 0.40367 | 0.666667 |
316 | 6CR | 0.402597 | 0.805556 |
317 | TYM | 0.401869 | 0.74359 |
318 | ALF ADP 3PG | 0.401869 | 0.707317 |
319 | AF3 ADP 3PG | 0.401869 | 0.707317 |
320 | N37 | 0.401869 | 0.780822 |
321 | WSA | 0.401869 | 0.686047 |
322 | 4TA | 0.401786 | 0.702381 |
323 | Q2V | 0.4 | 0.786667 |
324 | YLA | 0.4 | 0.674419 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | MTM | 1.0000 |
2 | MTI | 0.9853 |
3 | TBN | 0.9783 |
4 | IMH | 0.9771 |
5 | FMC | 0.9756 |
6 | 9DI | 0.9753 |
7 | NOS | 0.9743 |
8 | AD3 | 0.9739 |
9 | FMB | 0.9735 |
10 | 5FD | 0.9722 |
11 | UA2 | 0.9705 |
12 | FM1 | 0.9685 |
13 | DBM | 0.9669 |
14 | TAL | 0.9667 |
15 | PRH | 0.9608 |
16 | HPR | 0.9608 |
17 | GMP | 0.9568 |
18 | FTU | 0.9566 |
19 | EKH | 0.9559 |
20 | FM2 | 0.9559 |
21 | IMG | 0.9559 |
22 | AFX | 0.9549 |
23 | MDR | 0.9526 |
24 | PUR | 0.9523 |
25 | 8OX | 0.9519 |
26 | 5NB | 0.9518 |
27 | 5ID | 0.9518 |
28 | RPP | 0.9517 |
29 | 4UO | 0.9516 |
30 | N8M | 0.9499 |
31 | SNI | 0.9489 |
32 | CFE | 0.9459 |
33 | 3BH | 0.9407 |
34 | DNB | 0.9403 |
35 | MG7 | 0.9390 |
36 | 2FD | 0.9359 |
37 | TDI | 0.9356 |
38 | GNG | 0.9349 |
39 | CL9 | 0.9342 |
40 | Z8B | 0.9340 |
41 | IMP | 0.9327 |
42 | 5I5 | 0.9317 |
43 | FMP | 0.9299 |
44 | MZR | 0.9267 |
45 | 5UD | 0.9262 |
46 | C1Y | 0.9254 |
47 | 3Q0 | 0.9252 |
48 | DCF | 0.9247 |
49 | 13A | 0.9244 |
50 | EO7 | 0.9234 |
51 | F01 | 0.9233 |
52 | RFZ | 0.9228 |
53 | 5GP | 0.9223 |
54 | IRP | 0.9220 |
55 | AS | 0.9216 |
56 | THM | 0.9209 |
57 | NNR | 0.9204 |
58 | URI | 0.9201 |
59 | TIZ | 0.9195 |
60 | CTN | 0.9193 |
61 | G | 0.9186 |
62 | RBV | 0.9184 |
63 | 71V | 0.9175 |
64 | XMP | 0.9173 |
65 | HO4 | 0.9170 |
66 | B86 | 0.9168 |
67 | TO1 | 0.9162 |
68 | BMC | 0.9154 |
69 | 8OP | 0.9146 |
70 | IMU | 0.9144 |
71 | 7CI | 0.9142 |
72 | 8HG | 0.9133 |
73 | CDY | 0.9133 |
74 | DI | 0.9112 |
75 | 15Q | 0.9075 |
76 | TMC | 0.9066 |
77 | 6CG | 0.9066 |
78 | I5A | 0.9064 |
79 | UUA | 0.9062 |
80 | DGP | 0.9057 |
81 | 5BT | 0.9054 |
82 | DG | 0.9052 |
83 | TIA | 0.9051 |
84 | MCY | 0.9050 |
85 | 0DN | 0.9048 |
86 | G7M | 0.9045 |
87 | 28A | 0.9044 |
88 | 3DT | 0.9041 |
89 | C2R | 0.9036 |
90 | MZP | 0.9030 |
91 | XYP XYP | 0.9026 |
92 | 7G2 | 0.9025 |
93 | DIH | 0.9025 |
94 | 8BR | 0.9018 |
95 | SCT | 0.9017 |
96 | DUR | 0.9016 |
97 | TR7 | 0.9014 |
98 | AMZ | 0.9012 |
99 | 5MD | 0.9011 |
100 | NIA | 0.9007 |
101 | H7S | 0.9002 |
102 | DCZ | 0.8996 |
103 | 8GM | 0.8988 |
104 | 4F0 | 0.8988 |
105 | TMP | 0.8986 |
106 | 2TU | 0.8977 |
107 | 38B | 0.8970 |
108 | XYS AZI XYS | 0.8968 |
109 | XYS XYS | 0.8967 |
110 | HDU | 0.8961 |
111 | U | 0.8959 |
112 | ZYV | 0.8956 |
113 | EAT | 0.8953 |
114 | ACE TRP | 0.8950 |
115 | PIR | 0.8948 |
116 | AHU | 0.8945 |
117 | LVY | 0.8942 |
118 | LOX XYP | 0.8937 |
119 | C | 0.8935 |
120 | RVD | 0.8935 |
121 | U5P | 0.8934 |
122 | TYU | 0.8932 |
123 | NIR | 0.8932 |
124 | 9MK | 0.8931 |
125 | 6MA | 0.8931 |
126 | THU | 0.8929 |
127 | IM5 | 0.8928 |
128 | 9ME | 0.8925 |
129 | EXX | 0.8919 |
130 | VCE | 0.8917 |
131 | 5AE | 0.8911 |
132 | C5P | 0.8908 |
133 | NEO | 0.8908 |
134 | U14 | 0.8906 |
135 | SGP | 0.8904 |
136 | 28B | 0.8903 |
137 | CTD | 0.8902 |
138 | URD | 0.8902 |
139 | SGV | 0.8899 |
140 | GPK | 0.8894 |
141 | CX5 | 0.8893 |
142 | 6OG | 0.8893 |
143 | FNU | 0.8892 |
144 | XTS | 0.8891 |
145 | PFU | 0.8891 |
146 | XEV | 0.8889 |
147 | DK4 | 0.8888 |
148 | 581 | 0.8888 |
149 | 5P7 | 0.8886 |
150 | 9UL | 0.8880 |
151 | TGW | 0.8879 |
152 | IMK | 0.8872 |
153 | II4 | 0.8871 |
154 | 2QU | 0.8869 |
155 | C4F | 0.8866 |
156 | 9PP | 0.8865 |
157 | 93A | 0.8864 |
158 | IXG | 0.8863 |
159 | MTE | 0.8862 |
160 | UFP | 0.8862 |
161 | GA2 | 0.8858 |
162 | BRY | 0.8856 |
163 | TKW | 0.8854 |
164 | D64 | 0.8854 |
165 | BGC GAL | 0.8852 |
166 | XYP XDN | 0.8847 |
167 | XDN XYP | 0.8847 |
168 | NYM | 0.8846 |
169 | Q2S | 0.8843 |
170 | 2GE | 0.8840 |
171 | JLN | 0.8840 |
172 | 5CM | 0.8840 |
173 | XYP AHR | 0.8838 |
174 | NQ7 | 0.8838 |
175 | XIF XYP | 0.8837 |
176 | RVP | 0.8836 |
177 | M83 | 0.8834 |
178 | I0D | 0.8834 |
179 | ID2 | 0.8834 |
180 | CH | 0.8830 |
181 | 4K2 | 0.8830 |
182 | IXM | 0.8828 |
183 | AZZ | 0.8826 |
184 | XIL | 0.8824 |
185 | MN QAY | 0.8823 |
186 | X29 | 0.8823 |
187 | NXB | 0.8822 |
188 | 4I5 | 0.8821 |
189 | RVC | 0.8818 |
190 | GEO | 0.8816 |
191 | UX0 | 0.8814 |
192 | XYS XYP | 0.8812 |
193 | 4G2 | 0.8810 |
194 | 92O | 0.8808 |
195 | 16B | 0.8802 |
196 | XYP XIF | 0.8800 |
197 | 5BX | 0.8797 |
198 | 5FU | 0.8796 |
199 | 8OG | 0.8796 |
200 | JFS | 0.8795 |
201 | X2M | 0.8791 |
202 | 8DA | 0.8790 |
203 | OS2 | 0.8790 |
204 | UMP | 0.8790 |
205 | XYP XYS | 0.8789 |
206 | 7VF | 0.8788 |
207 | Q92 | 0.8788 |
208 | SSI | 0.8782 |
209 | 72H | 0.8780 |
210 | 6J3 | 0.8780 |
211 | XYP XIM | 0.8780 |
212 | XDL XYP | 0.8779 |
213 | ZJB | 0.8777 |
214 | QNI | 0.8777 |
215 | F4U | 0.8777 |
216 | 4GU | 0.8772 |
217 | GP0 | 0.8769 |
218 | 6U5 | 0.8768 |
219 | LU2 | 0.8767 |
220 | DBS | 0.8766 |
221 | PCG | 0.8760 |
222 | EF2 | 0.8759 |
223 | 2GD | 0.8757 |
224 | 145 | 0.8753 |
225 | TRP | 0.8752 |
226 | 4MP | 0.8752 |
227 | R38 | 0.8751 |
228 | TVZ | 0.8749 |
229 | 5HU | 0.8747 |
230 | Y70 | 0.8745 |
231 | DFL | 0.8745 |
232 | 18E | 0.8743 |
233 | UP6 | 0.8741 |
234 | JSX | 0.8739 |
235 | NCN | 0.8737 |
236 | 1FL | 0.8736 |
237 | W29 | 0.8735 |
238 | 7CH | 0.8733 |
239 | B5A | 0.8733 |
240 | JMQ | 0.8733 |
241 | EFX | 0.8731 |
242 | FC2 | 0.8730 |
243 | 21E | 0.8729 |
244 | TCL | 0.8728 |
245 | 2QV | 0.8728 |
246 | BMP | 0.8727 |
247 | 1XS | 0.8724 |
248 | RVB | 0.8723 |
249 | H2U | 0.8723 |
250 | 6SX | 0.8722 |
251 | MHR | 0.8720 |
252 | C9B | 0.8720 |
253 | A4G | 0.8719 |
254 | DU | 0.8718 |
255 | 5BU | 0.8718 |
256 | 1SF | 0.8717 |
257 | FT3 | 0.8714 |
258 | ZEB | 0.8714 |
259 | SY4 | 0.8712 |
260 | NMN | 0.8711 |
261 | HVE | 0.8709 |
262 | DCM | 0.8708 |
263 | 4EZ | 0.8708 |
264 | JO5 | 0.8705 |
265 | 7GY | 0.8704 |
266 | 1Q4 | 0.8703 |
267 | 0GA | 0.8703 |
268 | CTE | 0.8702 |
269 | JOB | 0.8700 |
270 | ANU | 0.8699 |
271 | AV4 | 0.8698 |
272 | K8W | 0.8698 |
273 | NEU | 0.8697 |
274 | ZSP | 0.8697 |
275 | MBY | 0.8696 |
276 | EZB | 0.8696 |
277 | 7EL | 0.8693 |
278 | GF7 | 0.8693 |
279 | EZN | 0.8693 |
280 | DDN | 0.8691 |
281 | 5V7 | 0.8691 |
282 | J84 | 0.8690 |
283 | DC | 0.8689 |
284 | 5IU | 0.8689 |
285 | IA2 | 0.8687 |
286 | NUP | 0.8686 |
287 | DUS | 0.8681 |
288 | JF8 | 0.8680 |
289 | MR6 | 0.8679 |
290 | BMQ | 0.8679 |
291 | 272 | 0.8677 |
292 | JY4 | 0.8676 |
293 | NE1 | 0.8676 |
294 | TH4 | 0.8675 |
295 | S1D | 0.8673 |
296 | FT1 | 0.8670 |
297 | DHZ | 0.8669 |
298 | HBI | 0.8668 |
299 | NWL | 0.8668 |
300 | UMC | 0.8667 |
301 | CAR | 0.8667 |
302 | R9G | 0.8664 |
303 | DDU | 0.8660 |
304 | AR3 | 0.8660 |
305 | 4L2 | 0.8658 |
306 | 3RP | 0.8657 |
307 | CQW | 0.8656 |
308 | M2E | 0.8656 |
309 | 6SW | 0.8654 |
310 | ISX | 0.8654 |
311 | TYP | 0.8653 |
312 | U4J | 0.8653 |
313 | PE2 | 0.8650 |
314 | M01 | 0.8650 |
315 | H4B | 0.8650 |
316 | 6NZ | 0.8648 |
317 | AX8 | 0.8647 |
318 | FT2 | 0.8645 |
319 | VBC | 0.8644 |
320 | WCU | 0.8644 |
321 | RK4 | 0.8643 |
322 | P2G | 0.8641 |
323 | P2L | 0.8640 |
324 | FN5 | 0.8640 |
325 | DTE | 0.8639 |
326 | MEX | 0.8638 |
327 | 6SZ | 0.8638 |
328 | 6TX | 0.8637 |
329 | BIO | 0.8636 |
330 | T3P | 0.8635 |
331 | 0OK | 0.8634 |
332 | CNU | 0.8634 |
333 | 147 | 0.8633 |
334 | NVS | 0.8631 |
335 | 35G | 0.8631 |
336 | 1KN | 0.8630 |
337 | AOJ | 0.8630 |
338 | M16 | 0.8630 |
339 | 9RM | 0.8627 |
340 | 5YA | 0.8625 |
341 | OSY | 0.8625 |
342 | 27M | 0.8624 |
343 | VIB | 0.8624 |
344 | C2M | 0.8622 |
345 | 53X | 0.8621 |
346 | BZM | 0.8620 |
347 | H75 | 0.8618 |
348 | 7G1 | 0.8617 |
349 | 885 | 0.8617 |
350 | BRD | 0.8615 |
351 | 42R | 0.8614 |
352 | 5GV | 0.8611 |
353 | 96Z | 0.8610 |
354 | ZIQ | 0.8609 |
355 | FB4 | 0.8609 |
356 | M0Y | 0.8609 |
357 | UM3 | 0.8609 |
358 | KS5 | 0.8608 |
359 | BMA BMA | 0.8605 |
360 | 5R9 | 0.8605 |
361 | 5JT | 0.8604 |
362 | QRP | 0.8603 |
363 | Q4G | 0.8603 |
364 | K80 | 0.8603 |
365 | 801 | 0.8601 |
366 | CC6 | 0.8600 |
367 | 0DJ | 0.8599 |
368 | 5HM | 0.8598 |
369 | BGC BGC | 0.8598 |
370 | IM4 | 0.8597 |
371 | Q9T | 0.8596 |
372 | DOC | 0.8594 |
373 | MMA XYP | 0.8593 |
374 | BIG | 0.8592 |
375 | H70 | 0.8592 |
376 | GLC GAL | 0.8590 |
377 | UKV | 0.8589 |
378 | 14Z | 0.8588 |
379 | T3S | 0.8587 |
380 | 774 | 0.8586 |
381 | C0H | 0.8583 |
382 | E44 | 0.8583 |
383 | 16Z | 0.8581 |
384 | UL1 | 0.8580 |
385 | G30 | 0.8580 |
386 | 5E4 | 0.8580 |
387 | H2B | 0.8576 |
388 | T4A | 0.8576 |
389 | CZ0 | 0.8573 |
390 | GAT | 0.8570 |
391 | CJZ | 0.8570 |
392 | PSU | 0.8570 |
393 | PBQ | 0.8569 |
394 | 5E5 | 0.8567 |
395 | 9W7 | 0.8562 |
396 | CD9 | 0.8562 |
397 | M0N | 0.8559 |
398 | GFE | 0.8557 |
399 | B21 | 0.8552 |
400 | S0G | 0.8551 |
401 | VM7 | 0.8551 |
402 | AGI | 0.8551 |
403 | 3WK | 0.8550 |
404 | VUP | 0.8550 |
405 | VJJ | 0.8549 |
406 | SX3 | 0.8548 |
407 | IMV | 0.8547 |
408 | GQE | 0.8542 |
409 | QME | 0.8535 |
410 | MR5 | 0.8533 |
411 | 2GP | 0.8533 |
412 | BGC BMA | 0.8532 |
413 | MR4 | 0.8530 |
414 | OUA | 0.8526 |
415 | JO8 | 0.8524 |
416 | 0SY | 0.8521 |
417 | BC3 | 0.8519 |
418 | DCN | 0.8519 |
419 | 8GP | 0.8515 |
420 | KP2 | 0.8513 |
421 | ZEA | 0.8509 |
422 | WV7 | 0.8509 |
This union binding pocket(no: 1) in the query (biounit: 4bmx.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4QAR | ADE | 7.46269 |
2 | 4QAR | ADE | 7.46269 |
3 | 3LGS | SAH | 37.8486 |
4 | 3LGS | SAH | 37.8486 |
5 | 3LGS | ADE | 37.8486 |
6 | 3LGS | ADE | 37.8486 |
7 | 3LGS | SAH | 37.8486 |
8 | 3LGS | SAH | 37.8486 |
9 | 3LGS | ADE | 37.8486 |
10 | 3LGS | ADE | 37.8486 |