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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 9 families. | |||||
1 | 1Z35 | - | 2FA | C10 H12 F N5 O4 | c1nc2c(nc(.... |
2 | 1Z34 | ic50 = 0.42 mM | 2FD | C10 H12 F N5 O3 | c1nc2c(nc(.... |
3 | 1Z38 | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
4 | 1PR1 | Ki = 5 uM | FMB | C10 H12 N4 O5 | C1=Nc2c(n[.... |
5 | 1OUM | - | TAL | C12 H16 N4 O4 | Cc1c2c(ncn.... |
6 | 1PR2 | - | MDR | C11 H14 N4 O3 | Cc1c2c(ncn.... |
7 | 1PR5 | Ki = 120 uM | TBN | C11 H14 N4 O4 | c1cn(c2c1c.... |
8 | 1PKE | - | 2FD | C10 H12 F N5 O3 | c1nc2c(nc(.... |
9 | 1PR6 | - | XYA | C10 H13 N5 O4 | c1nc(c2c(n.... |
10 | 1PR0 | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
11 | 1PK9 | - | 2FA | C10 H12 F N5 O4 | c1nc2c(nc(.... |
12 | 1OV6 | - | DBM | C12 H16 N4 O4 | Cc1c2c(ncn.... |
13 | 1PR4 | - | MTP | C11 H14 N4 O4 S | CSc1c2c(nc.... |
14 | 1PK7 | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
15 | 1OVG | - | MDR | C11 H14 N4 O3 | Cc1c2c(ncn.... |
16 | 1OU4 | - | 6MP | C6 H6 N4 | Cc1c2c(nc[.... |
17 | 1OTY | - | 6MP | C6 H6 N4 | Cc1c2c(nc[.... |
18 | 3UT6 | - | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
19 | 1PW7 | - | RAB | C10 H13 N5 O4 | c1nc(c2c(n.... |
20 | 1K9S | - | FM2 | C11 H16 N5 O4 | C[n+]1cnc2.... |
21 | 1A69 | Ki = 5 uM | FMB | C10 H12 N4 O5 | C1=Nc2c(n[.... |
22 | 1VHW | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
23 | 5MX4 | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
24 | 5MX6 | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
25 | 5MX8 | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
26 | 6F4X | Kd = 10.7 uM | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
27 | 6F4W | Kd = 2.95 uM | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
28 | 2AC7 | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
29 | 3UAZ | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
30 | 3UAY | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
31 | 3UAX | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
32 | 3UAW | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
33 | 4DAO | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
34 | 4DA6 | - | GA2 | C9 H13 N5 O4 | c1nc2c(n1C.... |
35 | 4DA7 | - | AC2 | C8 H11 N5 O3 | c1nc2c(n1C.... |
36 | 4DAE | - | 6CR | C10 H12 Cl N5 O4 | c1nc2c(n1[.... |
37 | 4D9H | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
38 | 4D8V | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
39 | 4DAB | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 1Z35 | - | 2FA | C10 H12 F N5 O4 | c1nc2c(nc(.... |
2 | 1Z34 | ic50 = 0.42 mM | 2FD | C10 H12 F N5 O3 | c1nc2c(nc(.... |
3 | 1Z38 | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
4 | 1PR1 | Ki = 5 uM | FMB | C10 H12 N4 O5 | C1=Nc2c(n[.... |
5 | 1OUM | - | TAL | C12 H16 N4 O4 | Cc1c2c(ncn.... |
6 | 1PR2 | - | MDR | C11 H14 N4 O3 | Cc1c2c(ncn.... |
7 | 1PR5 | Ki = 120 uM | TBN | C11 H14 N4 O4 | c1cn(c2c1c.... |
8 | 1PKE | - | 2FD | C10 H12 F N5 O3 | c1nc2c(nc(.... |
9 | 1PR6 | - | XYA | C10 H13 N5 O4 | c1nc(c2c(n.... |
10 | 1PR0 | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
11 | 1PK9 | - | 2FA | C10 H12 F N5 O4 | c1nc2c(nc(.... |
12 | 1OV6 | - | DBM | C12 H16 N4 O4 | Cc1c2c(ncn.... |
13 | 1PR4 | - | MTP | C11 H14 N4 O4 S | CSc1c2c(nc.... |
14 | 1PK7 | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
15 | 1OVG | - | MDR | C11 H14 N4 O3 | Cc1c2c(ncn.... |
16 | 1OU4 | - | 6MP | C6 H6 N4 | Cc1c2c(nc[.... |
17 | 1OTY | - | 6MP | C6 H6 N4 | Cc1c2c(nc[.... |
18 | 3UT6 | - | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
19 | 1PW7 | - | RAB | C10 H13 N5 O4 | c1nc(c2c(n.... |
20 | 1K9S | - | FM2 | C11 H16 N5 O4 | C[n+]1cnc2.... |
21 | 1A69 | Ki = 5 uM | FMB | C10 H12 N4 O5 | C1=Nc2c(n[.... |
22 | 1VHW | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
23 | 5MX4 | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
24 | 5MX6 | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
25 | 5MX8 | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
26 | 6F4X | Kd = 10.7 uM | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
27 | 6F4W | Kd = 2.95 uM | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
28 | 1JDT | - | MTA | C11 H15 N5 O3 S | CSC[C@@H]1.... |
29 | 1JE1 | - | GMP | C10 H13 N5 O5 | c1nc2c(n1[.... |
30 | 1JDZ | - | FMB | C10 H12 N4 O5 | C1=Nc2c(n[.... |
31 | 2AC7 | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
32 | 3UAZ | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
33 | 3UAY | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
34 | 3UAX | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
35 | 3UAW | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
36 | 1ODI | Kd = 62 uM | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
37 | 1ODJ | Kd = 80 uM | GMP | C10 H13 N5 O5 | c1nc2c(n1[.... |
38 | 4DAO | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
39 | 4DA6 | - | GA2 | C9 H13 N5 O4 | c1nc2c(n1C.... |
40 | 4DA7 | - | AC2 | C8 H11 N5 O3 | c1nc2c(n1C.... |
41 | 4DAE | - | 6CR | C10 H12 Cl N5 O4 | c1nc2c(n1[.... |
42 | 4D9H | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
43 | 4D8V | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
44 | 4DAB | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
45 | 3U40 | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ADN | 0.9983 |
2 | NOS | 0.9974 |
3 | TBN | 0.9970 |
4 | IMH | 0.9963 |
5 | FMC | 0.9956 |
6 | FM1 | 0.9946 |
7 | XYA | 0.9852 |
8 | 1DA | 0.9848 |
9 | A | 0.9839 |
10 | 5FD | 0.9830 |
11 | AD3 | 0.9829 |
12 | MDR | 0.9820 |
13 | 5AD | 0.9809 |
14 | A4D | 0.9803 |
15 | TAL | 0.9802 |
16 | GMP | 0.9801 |
17 | FM2 | 0.9794 |
18 | 2FA | 0.9770 |
19 | PRH | 0.9743 |
20 | MTA | 0.9735 |
21 | 3D1 | 0.9716 |
22 | NOC | 0.9714 |
23 | ARJ | 0.9714 |
24 | RAB | 0.9713 |
25 | HPR | 0.9710 |
26 | MTP | 0.9704 |
27 | 3BH | 0.9701 |
28 | DBM | 0.9679 |
29 | 6CR | 0.9674 |
30 | NWW | 0.9661 |
31 | 2FD | 0.9653 |
32 | SNI | 0.9647 |
33 | MTM | 0.9631 |
34 | PUR | 0.9613 |
35 | GNG | 0.9603 |
36 | 8OX | 0.9601 |
37 | 4UO | 0.9598 |
38 | 5N5 | 0.9598 |
39 | 5ID | 0.9597 |
40 | 6MD | 0.9581 |
41 | 5UD | 0.9581 |
42 | RPP | 0.9575 |
43 | IMG | 0.9563 |
44 | MTH | 0.9559 |
45 | 5CD | 0.9553 |
46 | CFE | 0.9522 |
47 | EKH | 0.9500 |
48 | 7D7 | 0.9496 |
49 | FTU | 0.9491 |
50 | NWQ | 0.9486 |
51 | 26A | 0.9482 |
52 | 3AD | 0.9481 |
53 | THM | 0.9469 |
54 | MTI | 0.9462 |
55 | UA2 | 0.9419 |
56 | Y3J | 0.9418 |
57 | CL9 | 0.9412 |
58 | DNB | 0.9401 |
59 | URI | 0.9395 |
60 | CTN | 0.9394 |
61 | 5F1 | 0.9380 |
62 | 0DN | 0.9378 |
63 | 5NB | 0.9363 |
64 | DCF | 0.9346 |
65 | MCY | 0.9345 |
66 | AFX | 0.9343 |
67 | RFZ | 0.9332 |
68 | B86 | 0.9332 |
69 | 13A | 0.9320 |
70 | 5I5 | 0.9316 |
71 | 5BT | 0.9304 |
72 | 5MD | 0.9288 |
73 | MZR | 0.9283 |
74 | ID2 | 0.9273 |
75 | 38B | 0.9254 |
76 | DCZ | 0.9251 |
77 | MG7 | 0.9234 |
78 | MCF | 0.9226 |
79 | CC5 | 0.9218 |
80 | NEO | 0.9217 |
81 | DUR | 0.9217 |
82 | H7S | 0.9213 |
83 | 8HG | 0.9205 |
84 | I5A | 0.9204 |
85 | N8M | 0.9193 |
86 | EP4 | 0.9170 |
87 | GA2 | 0.9156 |
88 | QQY | 0.9142 |
89 | Z8B | 0.9134 |
90 | 5AE | 0.9124 |
91 | PIR | 0.9118 |
92 | KF5 | 0.9105 |
93 | 3L1 | 0.9100 |
94 | 2TU | 0.9098 |
95 | CDY | 0.9096 |
96 | TO1 | 0.9083 |
97 | EXX | 0.9075 |
98 | 7CI | 0.9061 |
99 | RVD | 0.9058 |
100 | ZAS | 0.9054 |
101 | NQ7 | 0.9053 |
102 | CTD | 0.9052 |
103 | 92O | 0.9048 |
104 | UUA | 0.9044 |
105 | DIH | 0.9043 |
106 | ACK | 0.9032 |
107 | JVQ | 0.9026 |
108 | QQX | 0.9025 |
109 | XTS | 0.9024 |
110 | LLT | 0.9019 |
111 | THU | 0.9009 |
112 | XYP XYS | 0.9006 |
113 | TIZ | 0.8998 |
114 | 6J3 | 0.8996 |
115 | HO4 | 0.8993 |
116 | JA3 | 0.8990 |
117 | TIA | 0.8988 |
118 | NEC | 0.8986 |
119 | HBI | 0.8980 |
120 | DBS | 0.8978 |
121 | BVD | 0.8977 |
122 | 3DH | 0.8976 |
123 | RBV | 0.8974 |
124 | 8DA | 0.8973 |
125 | PE2 | 0.8973 |
126 | 3DT | 0.8969 |
127 | P2L | 0.8966 |
128 | XYP XYP | 0.8964 |
129 | ID8 | 0.8964 |
130 | MEX | 0.8963 |
131 | ACE TRP | 0.8962 |
132 | NEU | 0.8962 |
133 | X2M | 0.8961 |
134 | TLF | 0.8960 |
135 | ZIQ | 0.8957 |
136 | XYS XYP | 0.8955 |
137 | RVB | 0.8950 |
138 | C1Y | 0.8945 |
139 | 9UL | 0.8942 |
140 | ZJB | 0.8938 |
141 | 5JT | 0.8937 |
142 | ZYV | 0.8932 |
143 | ZEB | 0.8928 |
144 | MPU | 0.8926 |
145 | A4V | 0.8922 |
146 | 0GA | 0.8911 |
147 | CTE | 0.8909 |
148 | WCU | 0.8905 |
149 | TRP | 0.8902 |
150 | H4B | 0.8899 |
151 | B5A | 0.8897 |
152 | DS8 | 0.8896 |
153 | NNR | 0.8895 |
154 | XYP XDN | 0.8895 |
155 | AOJ | 0.8890 |
156 | 5BX | 0.8888 |
157 | TCL | 0.8887 |
158 | XIF XYP | 0.8878 |
159 | SGP | 0.8877 |
160 | WL3 | 0.8876 |
161 | 2L2 | 0.8870 |
162 | 5P7 | 0.8868 |
163 | TR7 | 0.8868 |
164 | H2B | 0.8863 |
165 | XYS XYS | 0.8857 |
166 | EAJ | 0.8856 |
167 | DDU | 0.8855 |
168 | AMP | 0.8845 |
169 | 2J5 | 0.8842 |
170 | JF8 | 0.8837 |
171 | VCE | 0.8837 |
172 | W29 | 0.8834 |
173 | JO5 | 0.8831 |
174 | TDI | 0.8830 |
175 | BDJ | 0.8827 |
176 | IM5 | 0.8822 |
177 | M0N | 0.8818 |
178 | KP2 | 0.8817 |
179 | 4AB | 0.8816 |
180 | 22L | 0.8815 |
181 | 5E4 | 0.8814 |
182 | B1T | 0.8813 |
183 | GLC IFM | 0.8812 |
184 | XDN XYP | 0.8810 |
185 | FWD | 0.8809 |
186 | ANU | 0.8808 |
187 | Q9P | 0.8808 |
188 | 5V7 | 0.8807 |
189 | 78U | 0.8807 |
190 | XYP AHR | 0.8802 |
191 | 2L1 | 0.8801 |
192 | BGC BMA | 0.8800 |
193 | XYP XIF | 0.8800 |
194 | ZSP | 0.8797 |
195 | CJZ | 0.8794 |
196 | DTE | 0.8784 |
197 | Z17 | 0.8782 |
198 | DHZ | 0.8780 |
199 | X29 | 0.8778 |
200 | CUT | 0.8775 |
201 | 0J4 | 0.8773 |
202 | ALN | 0.8773 |
203 | 4GU | 0.8772 |
204 | JMQ | 0.8771 |
205 | A4G | 0.8769 |
206 | IM4 | 0.8767 |
207 | B21 | 0.8763 |
208 | 1ZC | 0.8762 |
209 | C0H | 0.8760 |
210 | LTN | 0.8758 |
211 | CQW | 0.8758 |
212 | 0HY | 0.8757 |
213 | NIY | 0.8755 |
214 | TH4 | 0.8755 |
215 | ITW | 0.8754 |
216 | 96Z | 0.8753 |
217 | 885 | 0.8750 |
218 | RR7 GLC | 0.8747 |
219 | DBQ | 0.8747 |
220 | 848 | 0.8744 |
221 | PF1 | 0.8743 |
222 | HHV | 0.8741 |
223 | BC3 | 0.8741 |
224 | 2AM | 0.8740 |
225 | WS6 | 0.8740 |
226 | M77 | 0.8735 |
227 | EF2 | 0.8732 |
228 | M01 | 0.8732 |
229 | CUH | 0.8731 |
230 | X6P | 0.8730 |
231 | 7D1 MAN | 0.8729 |
232 | M02 | 0.8729 |
233 | TI7 | 0.8727 |
234 | S0G | 0.8726 |
235 | MJ5 | 0.8722 |
236 | BIO | 0.8721 |
237 | LVY | 0.8721 |
238 | 88R | 0.8719 |
239 | 17C | 0.8718 |
240 | EXG | 0.8717 |
241 | Z15 | 0.8716 |
242 | 1A5 | 0.8716 |
243 | AUV | 0.8715 |
244 | 3Y7 | 0.8715 |
245 | TCC | 0.8714 |
246 | 14Z | 0.8713 |
247 | YUG | 0.8713 |
248 | MAN IFM | 0.8709 |
249 | LL1 | 0.8708 |
250 | 4K2 | 0.8708 |
251 | M5H | 0.8708 |
252 | BNY | 0.8707 |
253 | MBY | 0.8706 |
254 | EXR | 0.8706 |
255 | IMP | 0.8706 |
256 | 7AP | 0.8705 |
257 | 4OG | 0.8704 |
258 | RVC | 0.8702 |
259 | 2DL | 0.8701 |
260 | 3IP | 0.8697 |
261 | KUP | 0.8696 |
262 | DGO MAN | 0.8696 |
263 | BGC GLC | 0.8694 |
264 | 1SF | 0.8692 |
265 | EXL | 0.8691 |
266 | DKZ | 0.8690 |
267 | 145 | 0.8686 |
268 | 51Y | 0.8681 |
269 | BMA BMA | 0.8681 |
270 | AGV | 0.8679 |
271 | CMU | 0.8679 |
272 | FB4 | 0.8677 |
273 | GDQ GLC | 0.8677 |
274 | 3D8 | 0.8676 |
275 | DKX | 0.8674 |
276 | AX8 | 0.8671 |
277 | CJB | 0.8670 |
278 | 16Z | 0.8668 |
279 | KYN | 0.8667 |
280 | 3AK | 0.8666 |
281 | A3N | 0.8662 |
282 | DTR | 0.8661 |
283 | 6EL | 0.8658 |
284 | A7M | 0.8657 |
285 | N8Z | 0.8656 |
286 | 6J9 | 0.8655 |
287 | GPK | 0.8655 |
288 | 38E | 0.8655 |
289 | DK4 | 0.8651 |
290 | E1N | 0.8650 |
291 | QME | 0.8650 |
292 | 0QV | 0.8648 |
293 | N1Y | 0.8643 |
294 | ZEZ | 0.8642 |
295 | IMQ | 0.8641 |
296 | BHS | 0.8639 |
297 | 2GD | 0.8638 |
298 | Y70 | 0.8633 |
299 | GLC 7LQ | 0.8632 |
300 | 28A | 0.8632 |
301 | GPQ | 0.8631 |
302 | NIR | 0.8630 |
303 | A6H | 0.8621 |
304 | Z57 | 0.8621 |
305 | QNI | 0.8617 |
306 | FPL | 0.8616 |
307 | RPN | 0.8615 |
308 | GLC DMJ | 0.8612 |
309 | 4E5 | 0.8608 |
310 | 4NR | 0.8607 |
311 | CH8 | 0.8604 |
312 | HVE | 0.8601 |
313 | 3VW | 0.8601 |
314 | 0OY | 0.8600 |
315 | A4B | 0.8600 |
316 | 4F0 | 0.8598 |
317 | DAH | 0.8598 |
318 | 9PL | 0.8598 |
319 | 9B3 | 0.8589 |
320 | 9CE | 0.8588 |
321 | SX3 | 0.8585 |
322 | 1VK | 0.8584 |
323 | IMB | 0.8583 |
324 | WVV | 0.8581 |
325 | 4WF | 0.8578 |
326 | GPU | 0.8577 |
327 | DIF | 0.8574 |
328 | PVQ | 0.8566 |
329 | 7NU | 0.8566 |
330 | A4Q | 0.8565 |
331 | BP6 | 0.8562 |
332 | 56N | 0.8557 |
333 | A4N | 0.8557 |
334 | TGW | 0.8556 |
335 | YIP | 0.8551 |
336 | Q0K | 0.8549 |
337 | SLY | 0.8547 |
338 | EMU | 0.8538 |
339 | 3CA | 0.8534 |
340 | AOC | 0.8532 |
341 | 5S9 | 0.8528 |
342 | NWD | 0.8522 |
343 | MAN G63 | 0.8504 |
This union binding pocket(no: 1) in the query (biounit: 1a69.bio1) has 109 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3KVY | R2B | 34.874 |
This union binding pocket(no: 2) in the query (biounit: 1a69.bio1) has 109 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1a69.bio1) has 108 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3KVY | R2B | 34.874 |
This union binding pocket(no: 4) in the query (biounit: 1a69.bio1) has 108 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 1a69.bio1) has 107 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 1a69.bio1) has 107 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |