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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 2NM3 | - | MPU | C9 H11 N5 O4 | c1c(nc2c(n.... |
2 | 1RRW | ic50 = 28 uM | 9MG | C6 H7 N5 O | Cn1cnc2c1n.... |
3 | 1RSD | ic50 = 0.3 uM | PSB | C25 H21 N7 O3 S | c1ccc(c(c1.... |
4 | 2DHN | - | PH2 | C7 H9 N5 O2 | C1C(=NC2=C.... |
5 | 1RRI | ic50 = 1.5 uM | A45 | C11 H8 N6 O3 | c1cc(cc(c1.... |
6 | 1RSI | ic50 = 38 uM | 977 | C10 H8 Br N3 O | c1ccc(cc1).... |
7 | 2NM2 | - | NEU | C9 H11 N5 O4 | c1c(nc2c(n.... |
8 | 1RS2 | ic50 = 50 uM | 209 | C7 H9 N5 O2 | CN1c2c(nc(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1SQL | - | GUN | C5 H5 N5 O | c1[nH]c2c(.... |
2 | 2NM3 | - | MPU | C9 H11 N5 O4 | c1c(nc2c(n.... |
3 | 1RRW | ic50 = 28 uM | 9MG | C6 H7 N5 O | Cn1cnc2c1n.... |
4 | 1RSD | ic50 = 0.3 uM | PSB | C25 H21 N7 O3 S | c1ccc(c(c1.... |
5 | 2DHN | - | PH2 | C7 H9 N5 O2 | C1C(=NC2=C.... |
6 | 1RRI | ic50 = 1.5 uM | A45 | C11 H8 N6 O3 | c1cc(cc(c1.... |
7 | 1RSI | ic50 = 38 uM | 977 | C10 H8 Br N3 O | c1ccc(cc1).... |
8 | 2NM2 | - | NEU | C9 H11 N5 O4 | c1c(nc2c(n.... |
9 | 1RS2 | ic50 = 50 uM | 209 | C7 H9 N5 O2 | CN1c2c(nc(.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 7AP | 0.9793 |
2 | ZSP | 0.9699 |
3 | H4B | 0.9623 |
4 | HBI | 0.9566 |
5 | H2B | 0.9559 |
6 | BHS | 0.9554 |
7 | 4AB | 0.9494 |
8 | 0J4 | 0.9442 |
9 | 0J5 | 0.9419 |
10 | 7PJ | 0.9393 |
11 | 0J2 | 0.9392 |
12 | 7PS | 0.9391 |
13 | Z25 | 0.9387 |
14 | NPS | 0.9370 |
15 | CC5 | 0.9335 |
16 | 8Y7 | 0.9333 |
17 | AP6 | 0.9329 |
18 | B61 | 0.9317 |
19 | CHQ | 0.9278 |
20 | 5AD | 0.9271 |
21 | 2WU | 0.9261 |
22 | IXG | 0.9253 |
23 | NPX | 0.9245 |
24 | S98 | 0.9230 |
25 | T1N | 0.9225 |
26 | 0HY | 0.9213 |
27 | 92O | 0.9208 |
28 | YZ9 | 0.9198 |
29 | B52 | 0.9175 |
30 | DX6 | 0.9156 |
31 | AC2 | 0.9144 |
32 | KF5 | 0.9120 |
33 | BGU | 0.9117 |
34 | 9KZ | 0.9103 |
35 | CTE | 0.9093 |
36 | NOS | 0.9090 |
37 | Z17 | 0.9087 |
38 | W23 | 0.9084 |
39 | 3SU | 0.9080 |
40 | WV7 | 0.9078 |
41 | 3D1 | 0.9067 |
42 | NAL | 0.9065 |
43 | UAY | 0.9063 |
44 | MDR | 0.9063 |
45 | 2K8 | 0.9059 |
46 | 3L1 | 0.9057 |
47 | PE2 | 0.9056 |
48 | DTE | 0.9049 |
49 | X0T | 0.9041 |
50 | DBS | 0.9040 |
51 | 9BF | 0.9031 |
52 | TRP | 0.9029 |
53 | ADN | 0.9024 |
54 | EUE | 0.9023 |
55 | EYY | 0.9016 |
56 | FT6 | 0.9011 |
57 | 5VU | 0.9009 |
58 | 1Q4 | 0.9006 |
59 | 5I5 | 0.9006 |
60 | GA2 | 0.9003 |
61 | K7H | 0.9001 |
62 | 96Z | 0.9000 |
63 | 14Z | 0.8998 |
64 | 8DA | 0.8996 |
65 | QMR | 0.8976 |
66 | 7D7 | 0.8971 |
67 | GW3 | 0.8970 |
68 | PH2 | 0.8969 |
69 | EUH | 0.8965 |
70 | ETV | 0.8964 |
71 | 2L2 | 0.8960 |
72 | THM | 0.8959 |
73 | H4B NO | 0.8950 |
74 | 3AD | 0.8940 |
75 | SYE | 0.8939 |
76 | 5F1 | 0.8933 |
77 | PLP | 0.8932 |
78 | 2FD | 0.8930 |
79 | A | 0.8929 |
80 | 0LA | 0.8927 |
81 | G6P | 0.8927 |
82 | FMB | 0.8926 |
83 | 6MD | 0.8925 |
84 | CG | 0.8922 |
85 | EAE | 0.8921 |
86 | FCW | 0.8919 |
87 | CDY | 0.8917 |
88 | CL9 | 0.8913 |
89 | 657 | 0.8912 |
90 | 8HG | 0.8910 |
91 | N18 | 0.8907 |
92 | 3N1 | 0.8904 |
93 | 5SJ | 0.8903 |
94 | 0GA | 0.8902 |
95 | GNG | 0.8900 |
96 | M9K | 0.8898 |
97 | GMP | 0.8896 |
98 | GO8 | 0.8895 |
99 | 22T | 0.8894 |
100 | TBN | 0.8892 |
101 | SG2 | 0.8890 |
102 | FY8 | 0.8888 |
103 | WG8 | 0.8881 |
104 | X04 | 0.8878 |
105 | 1ZC | 0.8875 |
106 | 4OG | 0.8874 |
107 | R4E | 0.8874 |
108 | Q8G | 0.8869 |
109 | WS7 | 0.8867 |
110 | 535 | 0.8866 |
111 | 8OX | 0.8866 |
112 | FMC | 0.8865 |
113 | MPP | 0.8865 |
114 | B5A | 0.8862 |
115 | APS | 0.8862 |
116 | WS6 | 0.8859 |
117 | S60 | 0.8857 |
118 | MUR | 0.8855 |
119 | XYA | 0.8851 |
120 | 3IL | 0.8851 |
121 | G30 | 0.8849 |
122 | 4Z9 | 0.8841 |
123 | GZV | 0.8835 |
124 | DTR | 0.8835 |
125 | FNT | 0.8835 |
126 | EST | 0.8833 |
127 | XYS XYS | 0.8828 |
128 | 5WS | 0.8826 |
129 | 5WK | 0.8825 |
130 | IMH | 0.8824 |
131 | XYP XIF | 0.8824 |
132 | 5MD | 0.8823 |
133 | DE7 | 0.8823 |
134 | 5N5 | 0.8822 |
135 | RVE | 0.8822 |
136 | X2M | 0.8816 |
137 | Q8D | 0.8816 |
138 | 0DN | 0.8815 |
139 | SCE | 0.8813 |
140 | EVO | 0.8811 |
141 | PMP | 0.8810 |
142 | N2M | 0.8810 |
143 | IOP | 0.8808 |
144 | A4D | 0.8805 |
145 | NPA | 0.8805 |
146 | SJK | 0.8804 |
147 | AD3 | 0.8803 |
148 | LP8 | 0.8802 |
149 | M77 | 0.8801 |
150 | 5XK | 0.8799 |
151 | 2FX | 0.8793 |
152 | 4R1 | 0.8790 |
153 | H52 | 0.8790 |
154 | GL6 | 0.8786 |
155 | ZEC | 0.8786 |
156 | HA6 | 0.8785 |
157 | 5ER | 0.8784 |
158 | RDT | 0.8784 |
159 | JA3 | 0.8783 |
160 | H0V | 0.8782 |
161 | 5FD | 0.8781 |
162 | V13 | 0.8778 |
163 | ARP | 0.8777 |
164 | XIF XYP | 0.8777 |
165 | LTN | 0.8776 |
166 | 5XL | 0.8776 |
167 | 3Y7 | 0.8774 |
168 | 5NB | 0.8771 |
169 | MP5 | 0.8771 |
170 | MCY | 0.8770 |
171 | RKY | 0.8769 |
172 | 14N | 0.8769 |
173 | 26A | 0.8767 |
174 | 856 | 0.8767 |
175 | B56 | 0.8767 |
176 | BG6 | 0.8763 |
177 | PYU | 0.8759 |
178 | 9DI | 0.8759 |
179 | 1KX | 0.8758 |
180 | FM1 | 0.8758 |
181 | B86 | 0.8757 |
182 | 1DA | 0.8754 |
183 | FTU | 0.8753 |
184 | 6HP | 0.8753 |
185 | ID2 | 0.8752 |
186 | 6CR | 0.8751 |
187 | UA2 | 0.8750 |
188 | RAB | 0.8748 |
189 | 3DT | 0.8742 |
190 | GJW | 0.8741 |
191 | 2L1 | 0.8741 |
192 | 2FA | 0.8740 |
193 | MUX | 0.8738 |
194 | 5M2 | 0.8738 |
195 | NOC | 0.8738 |
196 | ARJ | 0.8738 |
197 | DCF | 0.8735 |
198 | IL5 | 0.8733 |
199 | QME | 0.8732 |
200 | SKF | 0.8732 |
201 | MTP | 0.8732 |
202 | Q9P | 0.8731 |
203 | FM2 | 0.8730 |
204 | PIC | 0.8729 |
205 | HNT | 0.8728 |
206 | E1N | 0.8726 |
207 | 69K | 0.8725 |
208 | 5ID | 0.8723 |
209 | LLT | 0.8723 |
210 | GNR | 0.8723 |
211 | 78P | 0.8722 |
212 | I2E | 0.8719 |
213 | D8Q | 0.8713 |
214 | 3AK | 0.8707 |
215 | 7A9 | 0.8702 |
216 | EV3 | 0.8700 |
217 | NIY | 0.8699 |
218 | MFR | 0.8696 |
219 | ZYV | 0.8694 |
220 | 5BT | 0.8692 |
221 | M6P | 0.8692 |
222 | HPR | 0.8690 |
223 | PRH | 0.8688 |
224 | 4Z1 | 0.8688 |
225 | IMG | 0.8682 |
226 | 3UG | 0.8681 |
227 | ZIQ | 0.8680 |
228 | 8RK | 0.8674 |
229 | ITW | 0.8673 |
230 | DBM | 0.8668 |
231 | GI2 | 0.8666 |
232 | PXP | 0.8655 |
233 | 8YH | 0.8653 |
234 | EYM | 0.8651 |
235 | HWH | 0.8650 |
236 | YF3 | 0.8650 |
237 | EYA | 0.8647 |
238 | JHY | 0.8641 |
239 | PUR | 0.8641 |
240 | JF2 | 0.8638 |
241 | B41 | 0.8636 |
242 | IS2 | 0.8632 |
243 | TAL | 0.8632 |
244 | NPL | 0.8631 |
245 | 14X | 0.8629 |
246 | 5WN | 0.8629 |
247 | 3JN | 0.8629 |
248 | MQG | 0.8627 |
249 | EXL | 0.8626 |
250 | BNX | 0.8621 |
251 | ZEZ | 0.8619 |
252 | BQ2 | 0.8617 |
253 | RPP | 0.8614 |
254 | 092 | 0.8605 |
255 | THU | 0.8602 |
256 | P2L | 0.8596 |
257 | D1Y | 0.8595 |
258 | PLR | 0.8595 |
259 | GXG | 0.8593 |
260 | MG7 | 0.8590 |
261 | 4B0 | 0.8581 |
262 | GAL FUC | 0.8581 |
263 | JVD | 0.8572 |
264 | OAL | 0.8572 |
265 | 4UO | 0.8570 |
266 | 1Q1 | 0.8570 |
267 | LDC | 0.8569 |
268 | JRO | 0.8559 |
This union binding pocket(no: 1) in the query (biounit: 1rsd.bio1) has 54 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1rsd.bio1) has 54 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1rsd.bio1) has 54 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1rsd.bio1) has 54 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 1rsd.bio1) has 54 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 1rsd.bio1) has 54 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 1rsd.bio1) has 54 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 1rsd.bio1) has 54 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |