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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 197 families. | |||||
1 | 7AFV | - | SJK | C9 H11 N3 O2 S2 | C1CSC2=NC=.... |
2 | 3MYZ | - | TFX | C17 H19 N2 S | Cc1ccc2c(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 165 families. | |||||
1 | 7AFV | - | SJK | C9 H11 N3 O2 S2 | C1CSC2=NC=.... |
2 | 3MYZ | - | TFX | C17 H19 N2 S | Cc1ccc2c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | TFX | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 135 | 0.9592 |
2 | J2W | 0.9370 |
3 | 789 | 0.9350 |
4 | DX8 | 0.9330 |
5 | F36 | 0.9244 |
6 | 72H | 0.9237 |
7 | GEN | 0.9222 |
8 | W2E | 0.9221 |
9 | HMO | 0.9207 |
10 | 1UR | 0.9185 |
11 | 1V0 | 0.9178 |
12 | 1UT | 0.9171 |
13 | 397 | 0.9168 |
14 | 08C | 0.9167 |
15 | ZTW | 0.9155 |
16 | 0NJ | 0.9153 |
17 | M16 | 0.9142 |
18 | Y27 | 0.9139 |
19 | 06R | 0.9135 |
20 | AZB | 0.9131 |
21 | O53 | 0.9124 |
22 | 47X | 0.9105 |
23 | 31F | 0.9103 |
24 | 29F | 0.9091 |
25 | G2V | 0.9080 |
26 | 1R5 | 0.9079 |
27 | 27F | 0.9064 |
28 | XAV | 0.9060 |
29 | AX1 | 0.9056 |
30 | 124 | 0.9056 |
31 | H75 | 0.9054 |
32 | WF4 | 0.9053 |
33 | A63 | 0.9051 |
34 | 9C8 | 0.9050 |
35 | SJR | 0.9045 |
36 | 90G | 0.9041 |
37 | Y0R | 0.9041 |
38 | 738 | 0.9037 |
39 | OSY | 0.9033 |
40 | 2JP | 0.9030 |
41 | K3T | 0.9025 |
42 | MQ1 | 0.9021 |
43 | 1HP | 0.9021 |
44 | J2N | 0.9015 |
45 | 97K | 0.9004 |
46 | RF2 | 0.9000 |
47 | 1V8 | 0.8999 |
48 | WG8 | 0.8997 |
49 | JKN | 0.8994 |
50 | A64 | 0.8992 |
51 | NVS | 0.8992 |
52 | 4DE | 0.8987 |
53 | 4FC | 0.8985 |
54 | 9EG | 0.8984 |
55 | 2TH | 0.8975 |
56 | 7FC | 0.8971 |
57 | 5WW | 0.8968 |
58 | D64 | 0.8964 |
59 | MBT | 0.8964 |
60 | ZUF | 0.8954 |
61 | AJ8 | 0.8952 |
62 | C0V | 0.8945 |
63 | 1UZ | 0.8943 |
64 | 68C | 0.8942 |
65 | BP5 | 0.8941 |
66 | LWA | 0.8940 |
67 | BUN | 0.8935 |
68 | A46 | 0.8933 |
69 | 55H | 0.8932 |
70 | J84 | 0.8930 |
71 | HAU | 0.8924 |
72 | 91F | 0.8923 |
73 | NKI | 0.8921 |
74 | 2ZI | 0.8919 |
75 | IY5 | 0.8916 |
76 | EI1 | 0.8913 |
77 | J3B | 0.8911 |
78 | 9M9 | 0.8899 |
79 | 3K1 | 0.8898 |
80 | CUE | 0.8898 |
81 | L8N | 0.8897 |
82 | E98 | 0.8893 |
83 | 338 | 0.8889 |
84 | IZ9 | 0.8889 |
85 | E8Z | 0.8884 |
86 | 3G5 | 0.8881 |
87 | 7EL | 0.8881 |
88 | E92 | 0.8879 |
89 | FJR | 0.8876 |
90 | 4KN | 0.8870 |
91 | DEH | 0.8869 |
92 | 120 | 0.8865 |
93 | 23M | 0.8862 |
94 | SDN | 0.8853 |
95 | SZ5 | 0.8848 |
96 | X2L | 0.8847 |
97 | RGK | 0.8843 |
98 | LU2 | 0.8841 |
99 | AOB | 0.8839 |
100 | 3F4 | 0.8839 |
101 | 40N | 0.8838 |
102 | F08 | 0.8836 |
103 | ENY | 0.8835 |
104 | PW8 | 0.8833 |
105 | 136 | 0.8833 |
106 | 4CN | 0.8832 |
107 | 5TU | 0.8832 |
108 | SAU | 0.8831 |
109 | 121 | 0.8830 |
110 | 25F | 0.8829 |
111 | EBB | 0.8827 |
112 | 122 | 0.8825 |
113 | BMZ | 0.8825 |
114 | CR4 | 0.8825 |
115 | 5OR | 0.8820 |
116 | F33 | 0.8818 |
117 | 4ZW | 0.8818 |
118 | GN5 | 0.8816 |
119 | L43 | 0.8812 |
120 | LI7 | 0.8810 |
121 | 6H2 | 0.8808 |
122 | J2Q | 0.8807 |
123 | 801 | 0.8798 |
124 | 5XM | 0.8795 |
125 | L2K | 0.8790 |
126 | 7G2 | 0.8790 |
127 | AU6 | 0.8780 |
128 | EES | 0.8775 |
129 | HCC | 0.8771 |
130 | TEF | 0.8768 |
131 | NAR | 0.8766 |
132 | H2W | 0.8765 |
133 | IYX | 0.8762 |
134 | S16 | 0.8762 |
135 | 0S0 | 0.8759 |
136 | W8L | 0.8756 |
137 | WLH | 0.8752 |
138 | AO | 0.8744 |
139 | 1SX | 0.8743 |
140 | 6BK | 0.8741 |
141 | CDJ | 0.8740 |
142 | BSU | 0.8739 |
143 | A9B | 0.8738 |
144 | E9L | 0.8733 |
145 | 4B8 | 0.8730 |
146 | 5EZ | 0.8730 |
147 | K97 | 0.8729 |
148 | TVZ | 0.8729 |
149 | BZH | 0.8728 |
150 | 9AW | 0.8726 |
151 | 1V1 | 0.8726 |
152 | 5ZM | 0.8723 |
153 | HTK | 0.8722 |
154 | NNF | 0.8722 |
155 | 907 | 0.8721 |
156 | CIU | 0.8720 |
157 | 1VG | 0.8719 |
158 | ESJ | 0.8718 |
159 | 4P9 | 0.8717 |
160 | HUL | 0.8714 |
161 | 4ZF | 0.8712 |
162 | A73 | 0.8708 |
163 | 3GG | 0.8706 |
164 | OLU | 0.8706 |
165 | 1W3 | 0.8705 |
166 | 20D | 0.8700 |
167 | 1Q2 | 0.8699 |
168 | GBJ | 0.8692 |
169 | 7EH | 0.8692 |
170 | 5ER | 0.8688 |
171 | 9YD | 0.8682 |
172 | 32F | 0.8678 |
173 | 9B2 | 0.8671 |
174 | SLX | 0.8670 |
175 | DFL | 0.8668 |
176 | VT3 | 0.8663 |
177 | MRE | 0.8663 |
178 | 2X1 | 0.8661 |
179 | 7G0 | 0.8658 |
180 | FJU | 0.8658 |
181 | D26 | 0.8649 |
182 | NZO | 0.8649 |
183 | IPJ | 0.8649 |
184 | 6VW | 0.8649 |
185 | J8D | 0.8647 |
186 | M3W | 0.8646 |
187 | ZAR | 0.8641 |
188 | HPX | 0.8641 |
189 | BXS | 0.8639 |
190 | 272 | 0.8636 |
191 | BC5 | 0.8635 |
192 | 658 | 0.8630 |
193 | 0MB | 0.8626 |
194 | OSJ | 0.8622 |
195 | 7FZ | 0.8620 |
196 | 7B1 | 0.8615 |
197 | 205 | 0.8613 |
198 | OSD | 0.8606 |
199 | A26 | 0.8603 |
200 | EST | 0.8596 |
201 | 1Q1 | 0.8593 |
202 | C9G | 0.8589 |
203 | TID | 0.8587 |
204 | 97Z | 0.8585 |
205 | K0Z | 0.8584 |
206 | BCE | 0.8583 |
207 | DX2 | 0.8581 |
208 | KWD | 0.8580 |
209 | 041 | 0.8579 |
210 | XYP XYP | 0.8577 |
211 | J3Z | 0.8575 |
212 | JVB | 0.8571 |
213 | 0UL | 0.8563 |
214 | BER | 0.8563 |
215 | TES | 0.8559 |
216 | 196 | 0.8555 |
217 | IW3 | 0.8550 |
218 | 697 | 0.8548 |
219 | IQW | 0.8536 |
220 | HH6 | 0.8532 |
221 | OSG | 0.8526 |
222 | EQU | 0.8524 |
223 | 8E6 | 0.8523 |
224 | STL | 0.8522 |
225 | 0DF | 0.8512 |
226 | CWE | 0.8510 |
227 | ESR | 0.8508 |
This union binding pocket(no: 1) in the query (biounit: 3myz.bio1) has 4 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3myz.bio1) has 5 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 3myz.bio2) has 7 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |