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- Structure Biounit | Ligand Information
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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 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 | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 977 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BPY | 0.9769 |
2 | B4O | 0.9698 |
3 | M3E | 0.9471 |
4 | BZE | 0.9448 |
5 | AY4 | 0.9399 |
6 | 6HX | 0.9389 |
7 | 6J9 | 0.9383 |
8 | BP3 | 0.9360 |
9 | A1Y | 0.9341 |
10 | M4B | 0.9312 |
11 | S0G | 0.9307 |
12 | M1Z | 0.9299 |
13 | DC5 | 0.9276 |
14 | N3W | 0.9269 |
15 | MIL | 0.9245 |
16 | QZ8 | 0.9242 |
17 | XFE | 0.9231 |
18 | 89J | 0.9228 |
19 | B2T | 0.9213 |
20 | 3Y7 | 0.9194 |
21 | B2Y | 0.9188 |
22 | SV4 | 0.9183 |
23 | XDK | 0.9166 |
24 | SLY | 0.9142 |
25 | JRB | 0.9130 |
26 | BP6 | 0.9110 |
27 | ZYW | 0.9091 |
28 | OX2 | 0.9091 |
29 | 49O | 0.9089 |
30 | AVA | 0.9086 |
31 | BQ5 | 0.9085 |
32 | H70 | 0.9080 |
33 | 2LT | 0.9056 |
34 | 22L | 0.9045 |
35 | 2LX | 0.9037 |
36 | X48 | 0.9037 |
37 | K80 | 0.9024 |
38 | L13 | 0.9016 |
39 | CUT | 0.9016 |
40 | 2KU | 0.9009 |
41 | NBG | 0.9009 |
42 | W29 | 0.9007 |
43 | HPT | 0.9004 |
44 | GF4 | 0.9002 |
45 | 4GP | 0.9001 |
46 | AM1 | 0.8999 |
47 | PBQ | 0.8998 |
48 | CC5 | 0.8996 |
49 | CR1 | 0.8994 |
50 | MUK | 0.8993 |
51 | MUR | 0.8990 |
52 | 7ZL | 0.8974 |
53 | BPS | 0.8966 |
54 | BNL | 0.8962 |
55 | BY5 | 0.8960 |
56 | A9O | 0.8960 |
57 | 2GD | 0.8958 |
58 | 9GP | 0.8954 |
59 | 9FH | 0.8954 |
60 | LJ3 | 0.8940 |
61 | AX3 | 0.8938 |
62 | WOE | 0.8935 |
63 | FMQ | 0.8930 |
64 | X6P | 0.8929 |
65 | T2D | 0.8924 |
66 | CLU | 0.8922 |
67 | F69 | 0.8918 |
68 | 6HP | 0.8911 |
69 | 6J3 | 0.8910 |
70 | PVQ | 0.8904 |
71 | DKZ | 0.8902 |
72 | 1FF | 0.8900 |
73 | 9KH | 0.8895 |
74 | S3C | 0.8893 |
75 | MPK | 0.8891 |
76 | 1WC | 0.8887 |
77 | 2JM | 0.8880 |
78 | WVV | 0.8878 |
79 | 9H2 | 0.8877 |
80 | 5E4 | 0.8876 |
81 | FF2 | 0.8870 |
82 | L5D | 0.8867 |
83 | GZ2 | 0.8864 |
84 | 50C | 0.8860 |
85 | 8NX | 0.8857 |
86 | 42R | 0.8857 |
87 | KWB | 0.8853 |
88 | NTF | 0.8852 |
89 | AJD | 0.8850 |
90 | AMR | 0.8850 |
91 | HNH | 0.8850 |
92 | 3RP | 0.8850 |
93 | MMS | 0.8848 |
94 | AKD | 0.8847 |
95 | Q4G | 0.8847 |
96 | CJB | 0.8845 |
97 | FWD | 0.8845 |
98 | 9PL | 0.8844 |
99 | PVK | 0.8842 |
100 | NCT | 0.8840 |
101 | CWD | 0.8839 |
102 | 8OB | 0.8839 |
103 | TI7 | 0.8838 |
104 | DNB | 0.8835 |
105 | OUB | 0.8834 |
106 | A7K | 0.8834 |
107 | HNL | 0.8833 |
108 | AED | 0.8830 |
109 | J47 | 0.8827 |
110 | BP7 | 0.8825 |
111 | CPW | 0.8821 |
112 | OBP | 0.8821 |
113 | CGW | 0.8820 |
114 | 56N | 0.8819 |
115 | EXD | 0.8819 |
116 | AUV | 0.8818 |
117 | K3Q | 0.8816 |
118 | BCK | 0.8815 |
119 | GN6 | 0.8815 |
120 | A9P | 0.8813 |
121 | 6DP | 0.8810 |
122 | BWD | 0.8810 |
123 | NAG | 0.8809 |
124 | CP7 | 0.8808 |
125 | 7I2 | 0.8806 |
126 | ID8 | 0.8804 |
127 | GL2 | 0.8803 |
128 | IWD | 0.8801 |
129 | DKX | 0.8800 |
130 | SG2 | 0.8799 |
131 | 5AD | 0.8797 |
132 | AMQ | 0.8796 |
133 | KFN | 0.8796 |
134 | G6P | 0.8795 |
135 | STT | 0.8794 |
136 | LNR | 0.8791 |
137 | 5AE | 0.8789 |
138 | 92G | 0.8786 |
139 | CP6 | 0.8780 |
140 | 1CY | 0.8780 |
141 | GL7 | 0.8780 |
142 | 5OF | 0.8773 |
143 | AOT | 0.8770 |
144 | AVX | 0.8765 |
145 | GL5 | 0.8763 |
146 | 6XI | 0.8762 |
147 | H7S | 0.8762 |
148 | TCC | 0.8754 |
149 | HL4 | 0.8751 |
150 | 8OE | 0.8750 |
151 | 6NZ | 0.8749 |
152 | TRP | 0.8749 |
153 | AZC | 0.8745 |
154 | 6GP | 0.8743 |
155 | LIP | 0.8740 |
156 | IQQ | 0.8740 |
157 | 54E | 0.8739 |
158 | KTJ | 0.8737 |
159 | KYN | 0.8735 |
160 | 3WJ | 0.8735 |
161 | PW1 | 0.8731 |
162 | GRX | 0.8726 |
163 | 8UY | 0.8723 |
164 | TZM | 0.8723 |
165 | PIR | 0.8720 |
166 | DAH | 0.8718 |
167 | 2TU | 0.8717 |
168 | 2O6 | 0.8717 |
169 | CTN | 0.8717 |
170 | TU0 | 0.8713 |
171 | RUG | 0.8712 |
172 | JF6 | 0.8710 |
173 | MEX | 0.8709 |
174 | 6J5 | 0.8707 |
175 | F16 | 0.8706 |
176 | XYP XIF | 0.8702 |
177 | XIF XYP | 0.8702 |
178 | FTV | 0.8702 |
179 | S1D | 0.8702 |
180 | N1E | 0.8701 |
181 | 5F8 | 0.8700 |
182 | 52C | 0.8700 |
183 | 0OK | 0.8697 |
184 | IAC | 0.8694 |
185 | HA5 | 0.8693 |
186 | 4R1 | 0.8691 |
187 | H4B | 0.8691 |
188 | VBC | 0.8690 |
189 | PMP | 0.8689 |
190 | 67Y | 0.8685 |
191 | BG6 | 0.8683 |
192 | JSX | 0.8683 |
193 | CPZ | 0.8683 |
194 | FNA | 0.8680 |
195 | 5F5 | 0.8677 |
196 | DCZ | 0.8675 |
197 | GPK | 0.8674 |
198 | 16Z | 0.8674 |
199 | PLP | 0.8673 |
200 | BRH | 0.8670 |
201 | GPU | 0.8669 |
202 | URI | 0.8668 |
203 | DPN | 0.8664 |
204 | L21 | 0.8663 |
205 | TCL | 0.8662 |
206 | 3C4 | 0.8662 |
207 | 3IL | 0.8661 |
208 | GLS | 0.8660 |
209 | N8Z | 0.8655 |
210 | NLA | 0.8654 |
211 | RVE | 0.8653 |
212 | 8GK | 0.8652 |
213 | KP2 | 0.8652 |
214 | 1KN | 0.8651 |
215 | 0OL | 0.8650 |
216 | GPQ | 0.8648 |
217 | A4T | 0.8647 |
218 | IPD | 0.8647 |
219 | 2CZ | 0.8647 |
220 | 7L4 | 0.8646 |
221 | K48 | 0.8644 |
222 | DK4 | 0.8644 |
223 | IPT | 0.8643 |
224 | 5FL | 0.8635 |
225 | A4N | 0.8634 |
226 | 9F8 | 0.8634 |
227 | MIF | 0.8633 |
228 | C93 | 0.8632 |
229 | NIY | 0.8629 |
230 | NDG | 0.8627 |
231 | QMS | 0.8627 |
232 | 3DE | 0.8626 |
233 | LJ4 | 0.8621 |
234 | PHE | 0.8620 |
235 | Z15 | 0.8616 |
236 | M6P | 0.8615 |
237 | YO5 | 0.8614 |
238 | KG1 | 0.8611 |
239 | CG8 | 0.8610 |
240 | 6TZ | 0.8610 |
241 | IL5 | 0.8609 |
242 | FB4 | 0.8609 |
243 | PIM | 0.8607 |
244 | 1U7 | 0.8606 |
245 | EV2 | 0.8604 |
246 | I59 | 0.8603 |
247 | BIE | 0.8602 |
248 | GDL | 0.8598 |
249 | FER | 0.8597 |
250 | 2N6 | 0.8593 |
251 | C2M | 0.8590 |
252 | 46P | 0.8589 |
253 | THM | 0.8588 |
254 | ADN | 0.8587 |
255 | Z70 | 0.8584 |
256 | YTX | 0.8582 |
257 | NFA | 0.8580 |
258 | D6G | 0.8571 |
259 | CBQ | 0.8567 |
260 | LP8 | 0.8566 |
261 | 293 | 0.8557 |
262 | TQU | 0.8556 |
263 | F5C | 0.8554 |
264 | R9G | 0.8549 |
265 | GLP | 0.8547 |
266 | 60Q | 0.8543 |
267 | NPL | 0.8541 |
268 | O2Y | 0.8540 |
269 | R9Y | 0.8538 |
270 | 4LV | 0.8530 |
271 | 3DT | 0.8530 |
272 | B23 | 0.8520 |
273 | L3L | 0.8519 |
274 | ONZ | 0.8517 |
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 |