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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1331 families. | |||||
1 | 4RDN | - | 6MD | C11 H15 N5 O4 | CNc1c2c(nc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 4RDN | - | 6MD | C11 H15 N5 O4 | CNc1c2c(nc.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 6MD | 1 | 1 |
2 | 6MZ | 0.727273 | 0.84507 |
3 | G 6MZ C | 0.6 | 0.816901 |
4 | TT8 | 0.5875 | 0.830986 |
5 | RAB | 0.580645 | 0.952381 |
6 | ADN | 0.580645 | 0.952381 |
7 | XYA | 0.580645 | 0.952381 |
8 | MTP | 0.578125 | 0.895522 |
9 | 26A | 0.569231 | 0.938462 |
10 | 6IA | 0.518519 | 0.759494 |
11 | 1DA | 0.5 | 0.952381 |
12 | 6C6 | 0.487805 | 0.753247 |
13 | ERJ | 0.486486 | 0.90625 |
14 | 3DH | 0.479452 | 0.865672 |
15 | MTA | 0.472222 | 0.893939 |
16 | 2SA | 0.470588 | 0.776316 |
17 | 5N5 | 0.470588 | 0.921875 |
18 | 6MA | 0.468354 | 0.76 |
19 | 6CR | 0.464789 | 0.869565 |
20 | EP4 | 0.464789 | 0.867647 |
21 | 5CD | 0.463768 | 0.876923 |
22 | A4D | 0.463768 | 0.921875 |
23 | NO7 | 0.45977 | 0.8 |
24 | M2T | 0.458333 | 0.842857 |
25 | 2FA | 0.457143 | 0.882353 |
26 | ERS | 0.45679 | 0.842857 |
27 | 6K6 | 0.449438 | 0.819444 |
28 | DTA | 0.438356 | 0.826087 |
29 | G G 6MZ C | 0.438095 | 0.772152 |
30 | HY8 | 0.435644 | 0.810811 |
31 | ERP | 0.433735 | 0.892308 |
32 | 5AS | 0.432099 | 0.705882 |
33 | 45A | 0.43038 | 0.833333 |
34 | ABM | 0.43038 | 0.833333 |
35 | HZ2 | 0.43 | 0.810811 |
36 | A | 0.428571 | 0.805556 |
37 | LMS | 0.428571 | 0.707317 |
38 | AMP | 0.428571 | 0.805556 |
39 | 6RE | 0.423077 | 0.794521 |
40 | MHZ | 0.421687 | 0.769231 |
41 | IVH | 0.414634 | 0.824324 |
42 | A3N | 0.4125 | 0.880597 |
43 | IMO | 0.4125 | 0.767123 |
44 | J7C | 0.4125 | 0.805556 |
45 | ZAS | 0.410256 | 0.802817 |
46 | GJV | 0.407407 | 0.783784 |
47 | S4M | 0.407407 | 0.779221 |
48 | SRA | 0.405063 | 0.763158 |
49 | AMP MG | 0.405063 | 0.816901 |
50 | M33 | 0.404762 | 0.847222 |
51 | MAO | 0.402439 | 0.769231 |
52 | S7M | 0.4 | 0.763158 |
53 | AOC | 0.4 | 0.865672 |
54 | TBN | 0.4 | 0.936508 |
55 | DSH | 0.4 | 0.805556 |
56 | NEC | 0.4 | 0.863636 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | NOS | 0.9789 |
2 | FM1 | 0.9749 |
3 | GMP | 0.9631 |
4 | 9DI | 0.9622 |
5 | FMC | 0.9611 |
6 | AD3 | 0.9610 |
7 | NWW | 0.9600 |
8 | 5AD | 0.9599 |
9 | Y3J | 0.9592 |
10 | FMB | 0.9581 |
11 | MDR | 0.9565 |
12 | 3D1 | 0.9552 |
13 | IMH | 0.9542 |
14 | 5FD | 0.9539 |
15 | 5ID | 0.9528 |
16 | TAL | 0.9524 |
17 | EKH | 0.9523 |
18 | UA2 | 0.9522 |
19 | PRH | 0.9511 |
20 | FTU | 0.9499 |
21 | CL9 | 0.9482 |
22 | HPR | 0.9480 |
23 | 8OX | 0.9472 |
24 | F01 | 0.9465 |
25 | DBM | 0.9446 |
26 | RPP | 0.9442 |
27 | ARJ | 0.9440 |
28 | NOC | 0.9440 |
29 | GNG | 0.9439 |
30 | NWQ | 0.9427 |
31 | MTH | 0.9411 |
32 | 5NB | 0.9395 |
33 | 5UD | 0.9387 |
34 | 3AD | 0.9382 |
35 | 3BH | 0.9382 |
36 | FM2 | 0.9371 |
37 | 5F1 | 0.9357 |
38 | IMG | 0.9348 |
39 | CTN | 0.9323 |
40 | MTM | 0.9308 |
41 | 5I5 | 0.9298 |
42 | RFZ | 0.9283 |
43 | THM | 0.9280 |
44 | CFE | 0.9278 |
45 | MG7 | 0.9275 |
46 | 4UO | 0.9274 |
47 | 7D7 | 0.9273 |
48 | MTI | 0.9267 |
49 | URI | 0.9254 |
50 | PUR | 0.9219 |
51 | 2FD | 0.9191 |
52 | DCF | 0.9184 |
53 | 7CI | 0.9159 |
54 | 0DN | 0.9151 |
55 | 8HG | 0.9132 |
56 | 3DT | 0.9130 |
57 | MCY | 0.9124 |
58 | MZR | 0.9123 |
59 | MCF | 0.9115 |
60 | 3L1 | 0.9112 |
61 | RBV | 0.9109 |
62 | ZJB | 0.9109 |
63 | 5BT | 0.9109 |
64 | 13A | 0.9095 |
65 | AFX | 0.9068 |
66 | SCT | 0.9065 |
67 | DUR | 0.9064 |
68 | B86 | 0.9063 |
69 | NEO | 0.9043 |
70 | CDY | 0.9037 |
71 | CC5 | 0.9036 |
72 | 5AE | 0.9031 |
73 | XYP AHR | 0.9025 |
74 | HO4 | 0.9024 |
75 | AHU | 0.9022 |
76 | 2QU | 0.9021 |
77 | TMC | 0.9021 |
78 | Z57 | 0.9016 |
79 | DCZ | 0.9008 |
80 | 92O | 0.8997 |
81 | HBI | 0.8990 |
82 | GA2 | 0.8982 |
83 | P2L | 0.8975 |
84 | UUA | 0.8971 |
85 | TO1 | 0.8969 |
86 | H4B | 0.8967 |
87 | KF5 | 0.8966 |
88 | DK4 | 0.8960 |
89 | GPK | 0.8944 |
90 | 5P7 | 0.8940 |
91 | EXX | 0.8936 |
92 | DBS | 0.8928 |
93 | MPU | 0.8925 |
94 | EAT | 0.8921 |
95 | XYS XYP | 0.8918 |
96 | QQY | 0.8918 |
97 | KW7 | 0.8917 |
98 | Z8B | 0.8915 |
99 | QQX | 0.8914 |
100 | TIA | 0.8913 |
101 | 1KX | 0.8908 |
102 | H2B | 0.8906 |
103 | 1KN | 0.8901 |
104 | NNR | 0.8895 |
105 | 124 | 0.8894 |
106 | E1N | 0.8894 |
107 | ACK | 0.8888 |
108 | Z21 | 0.8886 |
109 | GEO | 0.8882 |
110 | H7S | 0.8874 |
111 | 4AB | 0.8871 |
112 | XYP XYS | 0.8871 |
113 | NQ7 | 0.8869 |
114 | RVD | 0.8868 |
115 | GAL FUC | 0.8864 |
116 | GLC 7LQ | 0.8861 |
117 | ZSP | 0.8854 |
118 | JMQ | 0.8853 |
119 | GPU | 0.8853 |
120 | GEN | 0.8847 |
121 | BHS | 0.8847 |
122 | GLC IFM | 0.8846 |
123 | 47X | 0.8843 |
124 | 5MD | 0.8840 |
125 | NEU | 0.8837 |
126 | THU | 0.8837 |
127 | XYP XDN | 0.8831 |
128 | 0J4 | 0.8830 |
129 | JA3 | 0.8829 |
130 | 1Q4 | 0.8824 |
131 | SGP | 0.8821 |
132 | VUP | 0.8820 |
133 | MBY | 0.8811 |
134 | OLU | 0.8811 |
135 | 7ZO | 0.8808 |
136 | JNW | 0.8805 |
137 | B5A | 0.8804 |
138 | XYP XYP | 0.8799 |
139 | AP6 | 0.8796 |
140 | SGV | 0.8785 |
141 | 0OK | 0.8784 |
142 | MGI | 0.8784 |
143 | XTS | 0.8781 |
144 | 802 | 0.8777 |
145 | DX6 | 0.8771 |
146 | OA4 | 0.8768 |
147 | DKX | 0.8764 |
148 | WCU | 0.8761 |
149 | Z15 | 0.8755 |
150 | CJB | 0.8747 |
151 | DS8 | 0.8745 |
152 | DKZ | 0.8744 |
153 | ACE TRP | 0.8737 |
154 | W23 | 0.8736 |
155 | 205 | 0.8735 |
156 | BGC BGC | 0.8735 |
157 | XDL XYP | 0.8734 |
158 | 7AP | 0.8732 |
159 | BIO | 0.8732 |
160 | B2L | 0.8730 |
161 | 51Y | 0.8728 |
162 | XYS XYS | 0.8727 |
163 | 6J3 | 0.8723 |
164 | VIB | 0.8722 |
165 | 7EH | 0.8722 |
166 | AWE | 0.8722 |
167 | KHP | 0.8718 |
168 | CTE | 0.8717 |
169 | DIH | 0.8713 |
170 | 120 | 0.8712 |
171 | TYU | 0.8712 |
172 | 907 | 0.8711 |
173 | 9UL | 0.8710 |
174 | XIF XYP | 0.8709 |
175 | MI2 | 0.8708 |
176 | 7D1 MAN | 0.8706 |
177 | T1N | 0.8705 |
178 | 7FZ | 0.8703 |
179 | NPS | 0.8703 |
180 | D64 | 0.8702 |
181 | LVY | 0.8701 |
182 | AJ4 | 0.8699 |
183 | 7EL | 0.8698 |
184 | GLC DMJ | 0.8697 |
185 | 15Q | 0.8691 |
186 | 0GA | 0.8690 |
187 | XDN XYP | 0.8688 |
188 | 54E | 0.8686 |
189 | 7DE | 0.8686 |
190 | 3RP | 0.8685 |
191 | XIL | 0.8683 |
192 | 1FL | 0.8680 |
193 | JOB | 0.8679 |
194 | CR4 | 0.8678 |
195 | RSV | 0.8674 |
196 | BMZ | 0.8673 |
197 | BBY | 0.8672 |
198 | EF2 | 0.8671 |
199 | AUG | 0.8669 |
200 | 0HY | 0.8669 |
201 | 3DE | 0.8667 |
202 | 6QT | 0.8663 |
203 | K80 | 0.8663 |
204 | A4N | 0.8662 |
205 | 8DA | 0.8661 |
206 | OVE | 0.8661 |
207 | 334 | 0.8656 |
208 | NPX | 0.8656 |
209 | 6EL | 0.8651 |
210 | 0J2 | 0.8650 |
211 | XYP XIF | 0.8648 |
212 | BVD | 0.8646 |
213 | EZB | 0.8642 |
214 | JF8 | 0.8640 |
215 | CJZ | 0.8639 |
216 | JFZ | 0.8637 |
217 | Y70 | 0.8636 |
218 | M77 | 0.8633 |
219 | 2L1 | 0.8631 |
220 | NXB | 0.8629 |
221 | TRP | 0.8628 |
222 | EI1 | 0.8625 |
223 | B2X | 0.8620 |
224 | 109 | 0.8618 |
225 | F4U | 0.8617 |
226 | ISX | 0.8612 |
227 | Q8G | 0.8612 |
228 | 6BK | 0.8608 |
229 | X2M | 0.8603 |
230 | 801 | 0.8603 |
231 | 3WO | 0.8602 |
232 | 3WN | 0.8602 |
233 | 2QV | 0.8600 |
234 | AVX | 0.8596 |
235 | 6JO | 0.8593 |
236 | U4J | 0.8586 |
237 | N5O | 0.8583 |
238 | FBC | 0.8577 |
239 | 0DF | 0.8575 |
240 | 9AA | 0.8569 |
241 | 4YE | 0.8569 |
242 | FNT | 0.8569 |
243 | 7L4 | 0.8569 |
244 | A4T | 0.8566 |
245 | AUE | 0.8566 |
246 | 9FH | 0.8565 |
247 | 3Q0 | 0.8565 |
248 | 5E4 | 0.8561 |
249 | QME | 0.8560 |
250 | HUX | 0.8554 |
251 | RVB | 0.8552 |
252 | DNB | 0.8552 |
253 | 5XM | 0.8551 |
254 | C2M | 0.8551 |
255 | 4NR | 0.8548 |
256 | MQU | 0.8544 |
257 | PQS | 0.8537 |
258 | NE2 | 0.8536 |
259 | 123 | 0.8529 |
260 | TCL | 0.8528 |
261 | 0QV | 0.8518 |
262 | CX5 | 0.8511 |
This union binding pocket(no: 1) in the query (biounit: 4rdn.bio2) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4rdn.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |