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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 7 families. | |||||
1 | 1EYE | - | PMM | C7 H8 N5 O5 P | c1c(nc2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1AJ0 | - | SAN | C6 H8 N2 O2 S | c1cc(ccc1N.... |
2 | 5U10 | - | PT1 | C14 H12 N6 O3 | c1cc(ccc1C.... |
3 | 5U0W | - | 9MG | C6 H7 N5 O | Cn1cnc2c1n.... |
4 | 5U0V | - | 7VJ | C5 H7 N5 O2 | CNC1=C(C(=.... |
5 | 5U14 | - | 7PV | C13 H14 N6 O3 S2 | c1cc(ccc1C.... |
6 | 5U0Z | - | 7PM | C13 H11 N5 O3 S | c1ccc(cc1).... |
7 | 5V7A | - | 8Y7 | C8 H9 N5 O3 S | Cn1c2c(nc1.... |
8 | 5U0Y | - | 7PJ | C7 H7 N5 O3 S | C(C(=O)O)S.... |
9 | 5V79 | - | 8Y4 | C14 H14 N6 O2 S | Cn1c2c(nc1.... |
10 | 5U13 | - | YH5 | C14 H13 N5 O3 S | COc1ccc(cc.... |
11 | 5U11 | - | 7PS | C8 H10 N6 O2 S | CNC(=O)CSc.... |
12 | 5U12 | - | 5RU | C12 H10 F N5 O S | c1ccc(c(c1.... |
13 | 1AJ2 | - | 2PH | C7 H11 N5 O8 P2 | C1C(=NC2=C.... |
14 | 4D8Z | Kd = 0.51 uM | 0J2 | C10 H11 N5 O4 | C[C@H](CC(.... |
15 | 4DB7 | Kd = 0.273 uM | Z25 | C9 H9 N5 O4 | C(CC(=O)O).... |
16 | 4D8A | - | 0HY | C11 H13 N5 O4 | C[C@H](CC(.... |
17 | 4DAF | Kd = 0.076 uM | 0J4 | C9 H9 N5 O4 | C[C@H](C1=.... |
18 | 3H22 | ic50 = 8 uM | B53 | C4 H5 N5 O2 | C1(=C(N=C(.... |
19 | 4NIL | - | 2O8 | C8 H6 F3 N O S | c1cc(ccc1C.... |
20 | 1TX2 | - | 680 | C5 H7 N5 O3 | CNC1=C(C(=.... |
21 | 1TWW | - | HH2 | C7 H9 N5 O8 P2 | c1c(nc2c(n.... |
22 | 3TYE | - | XHP | C7 H7 N5 O | C=C1CN=C2C.... |
23 | 3H2M | ic50 = 215 uM | B61 | C11 H17 N5 O2 | CC(C)(CC1=.... |
24 | 3H24 | - | B55 | C5 H5 N5 O S | c12c([nH]c.... |
25 | 3TYC | - | XHP | C7 H7 N5 O | C=C1CN=C2C.... |
26 | 3H2F | ic50 = 86.7 uM | B60 | C7 H9 N5 O | CN1CC=NC2=.... |
27 | 1TX0 | - | PT1 | C14 H12 N6 O3 | c1cc(ccc1C.... |
28 | 3H21 | ic50 = 19.8 uM | B52 | C10 H11 N5 O4 | C[C@H](C1=.... |
29 | 4D9P | ic50 = 145 uM | Z17 | C11 H13 N5 O4 | C[C@H](CC(.... |
30 | 3H26 | ic50 = 32.4 uM | B56 | C8 H9 N5 O3 | CN1CC(=NC2.... |
31 | 3TYD | - | XHP | C7 H7 N5 O | C=C1CN=C2C.... |
32 | 4DAI | Kd = 110 nM | 0J5 | C8 H7 N5 O4 | C(C1=NNC2=.... |
33 | 4NHV | - | 2O6 | C8 H5 F3 N2 O | c1cc2c(cc1.... |
34 | 3H2N | ic50 = 212.6 uM | B62 | C7 H11 N5 O | C[C@@H]1CN.... |
35 | 4NL1 | - | Z13 | C16 H11 F6 N | c1cc(ccc1C.... |
36 | 3H23 | ic50 = 19.3 uM | B54 | C14 H15 N5 O5 | c1cc(ccc1C.... |
37 | 3H2A | ic50 = 108.9 uM | B57 | C4 H5 N5 O3 | C1(=C(N=C(.... |
38 | 4NIR | - | 6DH | C11 H11 F3 N2 O | c1cc2c(cc1.... |
39 | 1EYE | - | PMM | C7 H8 N5 O5 P | c1c(nc2c(n.... |
40 | 1AD4 | - | HH2 | C7 H9 N5 O8 P2 | c1c(nc2c(n.... |
41 | 6CLV | - | 6MB | C18 H18 N8 O4 S | Cc1c(noc1N.... |
42 | 2VEG | - | PMM | C7 H8 N5 O5 P | c1c(nc2c(n.... |
43 | 3TYZ | - | PAB | C7 H7 N O2 | c1cc(ccc1C.... |
44 | 3TZF | - | HH2 | C7 H9 N5 O8 P2 | c1c(nc2c(n.... |
45 | 5JQ9 | - | 6MB | C18 H18 N8 O4 S | Cc1c(noc1N.... |
46 | 2Y5S | - | 78H | C14 H14 N6 O3 | c1cc(ccc1C.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | Z25 | 0.9462 |
2 | 8Y7 | 0.9437 |
3 | H4B | 0.9385 |
4 | HBI | 0.9348 |
5 | 7AP | 0.9266 |
6 | EYY | 0.9240 |
7 | DX2 | 0.9213 |
8 | GJW | 0.9204 |
9 | 7PS | 0.9185 |
10 | 0J2 | 0.9165 |
11 | R4E | 0.9156 |
12 | AP6 | 0.9156 |
13 | M9K | 0.9155 |
14 | CG | 0.9146 |
15 | 0J4 | 0.9139 |
16 | B61 | 0.9138 |
17 | 7PJ | 0.9137 |
18 | Z17 | 0.9123 |
19 | 0HY | 0.9121 |
20 | 2L2 | 0.9110 |
21 | GEN | 0.9104 |
22 | B5A | 0.9101 |
23 | H2B | 0.9100 |
24 | IXG | 0.9095 |
25 | 4AB | 0.9092 |
26 | 5M2 | 0.9084 |
27 | ZSP | 0.9083 |
28 | DX6 | 0.9077 |
29 | BC3 | 0.9076 |
30 | AC2 | 0.9074 |
31 | 22T | 0.9069 |
32 | 3D3 | 0.9069 |
33 | 0J5 | 0.9066 |
34 | GA2 | 0.9056 |
35 | 52F | 0.9055 |
36 | WG8 | 0.9049 |
37 | NAL | 0.9048 |
38 | 1Q4 | 0.9044 |
39 | JXQ | 0.9033 |
40 | DE7 | 0.9032 |
41 | UAY | 0.9030 |
42 | KU1 | 0.9028 |
43 | UN9 | 0.9021 |
44 | EUH | 0.9021 |
45 | JY2 | 0.9010 |
46 | 1V3 | 0.9008 |
47 | SCE | 0.9008 |
48 | AUG | 0.9004 |
49 | 1V4 | 0.8995 |
50 | H0V | 0.8994 |
51 | PE2 | 0.8993 |
52 | SYE | 0.8991 |
53 | M1D | 0.8990 |
54 | GU7 | 0.8990 |
55 | BHS | 0.8989 |
56 | HA6 | 0.8984 |
57 | 5WS | 0.8979 |
58 | FNT | 0.8978 |
59 | ZW2 | 0.8977 |
60 | AUE | 0.8975 |
61 | JTF | 0.8973 |
62 | PLP | 0.8970 |
63 | N18 | 0.8964 |
64 | GHQ | 0.8964 |
65 | EYJ | 0.8964 |
66 | X0T | 0.8963 |
67 | 5NN | 0.8963 |
68 | 35K | 0.8962 |
69 | ALJ | 0.8960 |
70 | ONZ | 0.8957 |
71 | STV | 0.8956 |
72 | WV7 | 0.8956 |
73 | CX4 | 0.8936 |
74 | DTE | 0.8936 |
75 | D64 | 0.8935 |
76 | 16G | 0.8930 |
77 | A8D | 0.8927 |
78 | BSA | 0.8927 |
79 | 4BX | 0.8925 |
80 | EXP | 0.8922 |
81 | PIQ | 0.8922 |
82 | G6P | 0.8919 |
83 | JXT | 0.8919 |
84 | 5HG | 0.8918 |
85 | NPX | 0.8916 |
86 | 4WF | 0.8916 |
87 | TRP | 0.8915 |
88 | 3SU | 0.8912 |
89 | P1J | 0.8911 |
90 | 5WN | 0.8903 |
91 | CHQ | 0.8900 |
92 | Q9P | 0.8893 |
93 | DT7 | 0.8889 |
94 | K8Y | 0.8888 |
95 | FT6 | 0.8888 |
96 | DTR | 0.8886 |
97 | 3GX | 0.8885 |
98 | YZ9 | 0.8882 |
99 | NPS | 0.8881 |
100 | PMP | 0.8881 |
101 | 5SJ | 0.8878 |
102 | DIH | 0.8878 |
103 | RKY | 0.8876 |
104 | KLV | 0.8876 |
105 | JYK | 0.8874 |
106 | QNM | 0.8874 |
107 | IOP | 0.8867 |
108 | 4QY | 0.8866 |
109 | G30 | 0.8865 |
110 | S8P | 0.8864 |
111 | 2QU | 0.8864 |
112 | BXS | 0.8862 |
113 | I2E | 0.8862 |
114 | JYE | 0.8860 |
115 | GNR | 0.8850 |
116 | 109 | 0.8850 |
117 | 4ZF | 0.8848 |
118 | 5AD | 0.8848 |
119 | NGS | 0.8847 |
120 | GJB | 0.8844 |
121 | 6XC | 0.8841 |
122 | Q5M | 0.8841 |
123 | CTE | 0.8839 |
124 | 6QT | 0.8839 |
125 | 96Z | 0.8837 |
126 | HWH | 0.8833 |
127 | C0V | 0.8832 |
128 | 5VU | 0.8831 |
129 | ZEA | 0.8830 |
130 | ZYC | 0.8829 |
131 | ASE | 0.8827 |
132 | 8RK | 0.8827 |
133 | ITW | 0.8827 |
134 | TYP | 0.8823 |
135 | 3N1 | 0.8821 |
136 | TQ3 | 0.8820 |
137 | 1XF | 0.8819 |
138 | K74 | 0.8818 |
139 | H35 | 0.8815 |
140 | IM5 | 0.8815 |
141 | B2E | 0.8811 |
142 | UQ1 | 0.8811 |
143 | 0DF | 0.8810 |
144 | GI2 | 0.8808 |
145 | D9Z | 0.8806 |
146 | 92O | 0.8803 |
147 | 3N0 | 0.8802 |
148 | T1N | 0.8801 |
149 | ESJ | 0.8799 |
150 | 5XK | 0.8797 |
151 | 3JL | 0.8796 |
152 | RE4 | 0.8793 |
153 | SJK | 0.8793 |
154 | 8EU | 0.8793 |
155 | ZIP | 0.8792 |
156 | NXB | 0.8791 |
157 | CC5 | 0.8786 |
158 | 5EZ | 0.8781 |
159 | F91 | 0.8781 |
160 | 88X | 0.8770 |
161 | 4YE | 0.8769 |
162 | GO8 | 0.8768 |
163 | JXK | 0.8767 |
164 | MW5 | 0.8767 |
165 | S7G | 0.8767 |
166 | AMR | 0.8761 |
167 | 3JN | 0.8760 |
168 | 2QV | 0.8758 |
169 | 0LA | 0.8757 |
170 | KTM | 0.8756 |
171 | 3G3 | 0.8756 |
172 | JVD | 0.8755 |
173 | AX5 | 0.8755 |
174 | QUB | 0.8754 |
175 | 1HR | 0.8750 |
176 | 3L1 | 0.8748 |
177 | 5XL | 0.8744 |
178 | C4E | 0.8743 |
179 | EP1 | 0.8742 |
180 | 1AJ | 0.8741 |
181 | 5ER | 0.8741 |
182 | 4HG | 0.8740 |
183 | BDI | 0.8740 |
184 | NIY | 0.8739 |
185 | 0QA | 0.8738 |
186 | JA3 | 0.8733 |
187 | 4EU | 0.8733 |
188 | 0QV | 0.8732 |
189 | EXG | 0.8732 |
190 | 68C | 0.8731 |
191 | JYT | 0.8730 |
192 | 8EQ | 0.8727 |
193 | 4AU | 0.8725 |
194 | D1Y | 0.8725 |
195 | ZEZ | 0.8721 |
196 | GZV | 0.8718 |
197 | BG6 | 0.8716 |
198 | 27K | 0.8714 |
199 | M78 | 0.8714 |
200 | 6BC | 0.8712 |
201 | 4JV | 0.8710 |
202 | JHY | 0.8708 |
203 | 5C1 | 0.8707 |
204 | PLR | 0.8705 |
205 | WA2 | 0.8705 |
206 | GXG | 0.8703 |
207 | 8YH | 0.8703 |
208 | NG6 | 0.8698 |
209 | CWP | 0.8696 |
210 | 2PH | 0.8695 |
211 | 1Q1 | 0.8694 |
212 | DBS | 0.8691 |
213 | 9BF | 0.8689 |
214 | 1CE | 0.8689 |
215 | FCW | 0.8688 |
216 | K97 | 0.8686 |
217 | 14Z | 0.8678 |
218 | NKI | 0.8678 |
219 | UM3 | 0.8677 |
220 | WLH | 0.8676 |
221 | 9KZ | 0.8674 |
222 | MDR | 0.8673 |
223 | 6DQ | 0.8672 |
224 | 12R | 0.8672 |
225 | 3AK | 0.8670 |
226 | EEK | 0.8667 |
227 | A4V | 0.8666 |
228 | 3EB | 0.8665 |
229 | GNG | 0.8662 |
230 | L07 | 0.8662 |
231 | 5F1 | 0.8661 |
232 | KYN | 0.8660 |
233 | GJE | 0.8658 |
234 | ENG | 0.8657 |
235 | 3D1 | 0.8656 |
236 | AZY | 0.8655 |
237 | ML1 | 0.8648 |
238 | E9S | 0.8648 |
239 | NFZ | 0.8648 |
240 | FF2 | 0.8648 |
241 | YE6 | 0.8646 |
242 | XY2 | 0.8640 |
243 | 1XS | 0.8640 |
244 | 3WO | 0.8637 |
245 | 3WN | 0.8637 |
246 | NWD | 0.8635 |
247 | A05 | 0.8634 |
248 | D8Q | 0.8633 |
249 | 657 | 0.8633 |
250 | 69K | 0.8630 |
251 | 7G0 | 0.8628 |
252 | RDV | 0.8623 |
253 | KWV | 0.8621 |
254 | TEF | 0.8621 |
255 | 6N4 | 0.8620 |
256 | 30A | 0.8619 |
257 | 3AD | 0.8619 |
258 | 4B0 | 0.8615 |
259 | EMU | 0.8613 |
260 | 39Z | 0.8611 |
261 | 2UD | 0.8611 |
262 | D87 | 0.8610 |
263 | 3IL | 0.8604 |
264 | ZYV | 0.8596 |
265 | C9M | 0.8595 |
266 | 4Z9 | 0.8595 |
267 | D80 | 0.8593 |
268 | D1G | 0.8592 |
269 | LTN | 0.8592 |
270 | C09 | 0.8589 |
271 | NPL | 0.8589 |
272 | BZM | 0.8587 |
273 | 6C5 | 0.8586 |
274 | XG1 | 0.8586 |
275 | E9P | 0.8586 |
276 | JPB | 0.8581 |
277 | 3WK | 0.8581 |
278 | CT0 | 0.8580 |
279 | 2P3 | 0.8579 |
280 | SNV | 0.8577 |
281 | RPN | 0.8571 |
282 | M01 | 0.8570 |
283 | NIF | 0.8570 |
284 | QS4 | 0.8568 |
285 | 536 | 0.8564 |
286 | 7ZO | 0.8564 |
287 | FSU | 0.8562 |
288 | GI4 | 0.8560 |
289 | HDI | 0.8558 |
290 | PNX | 0.8549 |
291 | FT2 | 0.8539 |
292 | HVE | 0.8529 |
293 | 64F | 0.8526 |
294 | HPK | 0.8511 |
This union binding pocket(no: 1) in the query (biounit: 1eye.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1eye.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |