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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 271 families. | |||||
1 | 6C92 | - | EGV | C6 H11 N3 O4 | [H]/N=C(/N.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 223 families. | |||||
1 | 6C92 | - | EGV | C6 H11 N3 O4 | [H]/N=C(/N.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | EQJ | 1 | 1 |
2 | 5DK | 1 | 1 |
3 | PL5 | 0.7125 | 0.903226 |
4 | PL6 | 0.679487 | 0.854839 |
5 | KOU | 0.671053 | 0.84127 |
6 | PUS | 0.630952 | 0.8 |
7 | F0G | 0.615385 | 0.806452 |
8 | P70 | 0.593023 | 0.809524 |
9 | EPC | 0.584416 | 0.774194 |
10 | FEJ | 0.571429 | 0.769231 |
11 | 0JO | 0.5625 | 0.784615 |
12 | Q0P | 0.55914 | 0.80303 |
13 | Z98 | 0.552941 | 0.904762 |
14 | PLT | 0.53125 | 0.776119 |
15 | SER PLP | 0.529412 | 0.793651 |
16 | 4LM | 0.52439 | 0.769231 |
17 | 6DF | 0.523256 | 0.734375 |
18 | FEV | 0.511905 | 0.757576 |
19 | EVM | 0.505882 | 0.828125 |
20 | P3D | 0.488372 | 0.888889 |
21 | PLP PHE | 0.484211 | 0.75 |
22 | PFM | 0.483146 | 0.8125 |
23 | MPM | 0.482353 | 0.765625 |
24 | EXT | 0.481928 | 0.83871 |
25 | FOO | 0.481928 | 0.793651 |
26 | PLP ALO | 0.47191 | 0.75 |
27 | AN7 | 0.46988 | 0.730159 |
28 | PLP 999 | 0.466667 | 0.75 |
29 | PLP PVH | 0.464646 | 0.732394 |
30 | P89 | 0.463158 | 0.757143 |
31 | PLP | 0.460526 | 0.725806 |
32 | LUK | 0.458333 | 0.72973 |
33 | LUH | 0.458333 | 0.72973 |
34 | HCP | 0.454545 | 0.784615 |
35 | PZP | 0.454545 | 0.758065 |
36 | PL2 | 0.445652 | 0.878788 |
37 | PLP ABU | 0.434783 | 0.809524 |
38 | GLY PLP | 0.431818 | 0.761905 |
39 | 3QP | 0.426966 | 0.758065 |
40 | O1G | 0.424242 | 0.714286 |
41 | KET | 0.423913 | 0.828125 |
42 | PLP MYB | 0.415842 | 0.689189 |
43 | PLP PUT | 0.413043 | 0.857143 |
44 | PLS | 0.406593 | 0.818182 |
45 | ORX | 0.40625 | 0.863636 |
46 | C6P | 0.402174 | 0.818182 |
47 | PE1 | 0.402062 | 0.863636 |
48 | LPI | 0.4 | 0.763889 |
49 | PP3 | 0.4 | 0.776119 |
50 | PDA | 0.4 | 0.776119 |
51 | PDD | 0.4 | 0.776119 |
52 | QLP | 0.4 | 0.8 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | EGV | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | EMS | 0.9615 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | DAR | 0.9524 |
2 | IAR | 0.9523 |
3 | ARG | 0.9522 |
4 | ILO | 0.9510 |
5 | CIR | 0.9504 |
6 | NMM | 0.9461 |
7 | E8U | 0.9424 |
8 | 26P | 0.9377 |
9 | TYR | 0.9327 |
10 | HSA | 0.9321 |
11 | GVA | 0.9313 |
12 | GGB | 0.9310 |
13 | HAR | 0.9293 |
14 | 4JK | 0.9282 |
15 | WT2 | 0.9281 |
16 | KDG | 0.9275 |
17 | VUR | 0.9243 |
18 | J9Y | 0.9241 |
19 | NFZ | 0.9237 |
20 | XI7 | 0.9222 |
21 | ENO | 0.9209 |
22 | ALA GLU | 0.9206 |
23 | JX7 | 0.9193 |
24 | PA5 | 0.9169 |
25 | ALA GLN | 0.9168 |
26 | GLR | 0.9159 |
27 | ENW | 0.9147 |
28 | GLY GLY GLY | 0.9140 |
29 | 11C | 0.9135 |
30 | MGB | 0.9126 |
31 | KLS | 0.9111 |
32 | G14 | 0.9111 |
33 | 5RP | 0.9110 |
34 | TEG | 0.9106 |
35 | 9J6 | 0.9100 |
36 | 2J3 | 0.9090 |
37 | API | 0.9086 |
38 | YZM | 0.9082 |
39 | GGG | 0.9078 |
40 | HL4 | 0.9074 |
41 | ZZA | 0.9067 |
42 | 6HN | 0.9066 |
43 | CS2 | 0.9062 |
44 | ODK | 0.9061 |
45 | EXY | 0.9054 |
46 | DA3 | 0.9050 |
47 | S7D | 0.9044 |
48 | GRQ | 0.9044 |
49 | 6C4 | 0.9035 |
50 | DXG | 0.9028 |
51 | 2OR | 0.9025 |
52 | D8Q | 0.9024 |
53 | RES | 0.9015 |
54 | LGT | 0.9014 |
55 | OJD | 0.9013 |
56 | 3KJ | 0.9012 |
57 | 7O4 | 0.9011 |
58 | 2FX | 0.9007 |
59 | DA2 | 0.9006 |
60 | 0OY | 0.9002 |
61 | DXP | 0.8999 |
62 | LZ5 | 0.8998 |
63 | ENV | 0.8994 |
64 | OCA | 0.8986 |
65 | 3GZ | 0.8984 |
66 | S6P | 0.8983 |
67 | 4TB | 0.8983 |
68 | SOJ | 0.8977 |
69 | M6R | 0.8975 |
70 | 64Z | 0.8973 |
71 | BZQ | 0.8973 |
72 | PRO GLY | 0.8972 |
73 | ZZU | 0.8972 |
74 | 0QA | 0.8972 |
75 | G6Q | 0.8968 |
76 | KAP | 0.8968 |
77 | 1PS | 0.8967 |
78 | AQQ | 0.8964 |
79 | MLZ | 0.8964 |
80 | MD6 | 0.8958 |
81 | SB7 | 0.8956 |
82 | OOG | 0.8956 |
83 | KPV | 0.8955 |
84 | BSA | 0.8954 |
85 | 2NP | 0.8948 |
86 | MF3 | 0.8948 |
87 | HLP | 0.8944 |
88 | 11X | 0.8942 |
89 | ASF | 0.8938 |
90 | NPI | 0.8937 |
91 | 6MW | 0.8932 |
92 | 4YZ | 0.8931 |
93 | 5TO | 0.8931 |
94 | 6FG | 0.8931 |
95 | 9VQ | 0.8930 |
96 | MLY | 0.8923 |
97 | M1T | 0.8921 |
98 | 5DL | 0.8916 |
99 | NBB | 0.8916 |
100 | PML | 0.8904 |
101 | D1G | 0.8902 |
102 | DHH | 0.8892 |
103 | MKN | 0.8891 |
104 | GHQ | 0.8888 |
105 | LPA | 0.8886 |
106 | 2MR | 0.8883 |
107 | SSC | 0.8883 |
108 | ALE | 0.8883 |
109 | 4ZD | 0.8882 |
110 | NNH | 0.8880 |
111 | R52 | 0.8877 |
112 | FIX | 0.8875 |
113 | DMA | 0.8875 |
114 | 0L1 | 0.8872 |
115 | DX5 | 0.8872 |
116 | P93 | 0.8869 |
117 | 6C9 | 0.8869 |
118 | 5PV | 0.8868 |
119 | A5P | 0.8867 |
120 | 5LD | 0.8866 |
121 | 1N5 | 0.8864 |
122 | GCO | 0.8864 |
123 | PBN | 0.8864 |
124 | I2E | 0.8858 |
125 | 8SZ | 0.8857 |
126 | A51 | 0.8854 |
127 | EQW | 0.8850 |
128 | MTL | 0.8849 |
129 | D2G | 0.8848 |
130 | 848 | 0.8846 |
131 | LVD | 0.8844 |
132 | 7UC | 0.8840 |
133 | 7BC | 0.8838 |
134 | 3VW | 0.8836 |
135 | 1HR | 0.8829 |
136 | 36M | 0.8823 |
137 | HRG | 0.8823 |
138 | HL6 | 0.8818 |
139 | NK5 | 0.8817 |
140 | TX4 | 0.8817 |
141 | 7MW | 0.8814 |
142 | 4BX | 0.8814 |
143 | 3H2 | 0.8814 |
144 | DI9 | 0.8814 |
145 | 4DI | 0.8813 |
146 | DER | 0.8813 |
147 | 6C5 | 0.8801 |
148 | PAN | 0.8801 |
149 | 8YH | 0.8799 |
150 | 0OM | 0.8799 |
151 | O45 | 0.8798 |
152 | 2JJ | 0.8797 |
153 | GAE | 0.8796 |
154 | B41 | 0.8795 |
155 | EYJ | 0.8794 |
156 | LYS | 0.8792 |
157 | M5B | 0.8792 |
158 | 5C1 | 0.8792 |
159 | IPE | 0.8790 |
160 | MMS | 0.8789 |
161 | BZM | 0.8788 |
162 | S0F | 0.8783 |
163 | TMG | 0.8779 |
164 | 3XH | 0.8776 |
165 | 0ON | 0.8776 |
166 | KYN | 0.8772 |
167 | 22F | 0.8772 |
168 | DEZ | 0.8771 |
169 | DZA | 0.8770 |
170 | EYV | 0.8762 |
171 | JF5 | 0.8760 |
172 | 011 | 0.8760 |
173 | J4K | 0.8760 |
174 | 27K | 0.8759 |
175 | BGT | 0.8759 |
176 | FUD | 0.8758 |
177 | TZP | 0.8757 |
178 | N9J | 0.8757 |
179 | REL | 0.8756 |
180 | 58X | 0.8756 |
181 | 6L6 | 0.8753 |
182 | DED | 0.8752 |
183 | 1L5 | 0.8751 |
184 | 4FP | 0.8750 |
185 | YTZ | 0.8748 |
186 | P4F | 0.8746 |
187 | HS7 | 0.8743 |
188 | RA7 | 0.8743 |
189 | HJH | 0.8743 |
190 | SZ7 | 0.8738 |
191 | HNM | 0.8733 |
192 | D3G | 0.8729 |
193 | HX8 | 0.8727 |
194 | LPB | 0.8727 |
195 | 492 | 0.8727 |
196 | 3YP | 0.8720 |
197 | LX1 | 0.8719 |
198 | EQA | 0.8718 |
199 | N9M | 0.8717 |
200 | GVQ | 0.8717 |
201 | Q04 | 0.8717 |
202 | 0NX | 0.8716 |
203 | ALY | 0.8714 |
204 | 2FM | 0.8711 |
205 | HJD | 0.8710 |
206 | SOR | 0.8708 |
207 | HPO | 0.8705 |
208 | YE6 | 0.8703 |
209 | HPL | 0.8702 |
210 | N8C | 0.8701 |
211 | PMV | 0.8698 |
212 | AHL | 0.8693 |
213 | 37E | 0.8690 |
214 | TZM | 0.8687 |
215 | ATX | 0.8687 |
216 | CUW | 0.8685 |
217 | QUS | 0.8685 |
218 | SB9 | 0.8682 |
219 | DIR | 0.8678 |
220 | H48 | 0.8674 |
221 | 5KJ | 0.8670 |
222 | 6N4 | 0.8670 |
223 | GLO | 0.8670 |
224 | IBP | 0.8669 |
225 | 3VQ | 0.8668 |
226 | 6ZX | 0.8668 |
227 | 3IP | 0.8666 |
228 | 5SP | 0.8665 |
229 | NOT | 0.8664 |
230 | HNE | 0.8663 |
231 | OA1 | 0.8659 |
232 | Z70 | 0.8658 |
233 | LL2 | 0.8657 |
234 | 3QO | 0.8655 |
235 | DY8 | 0.8653 |
236 | SX2 | 0.8649 |
237 | VIO | 0.8644 |
238 | DNN | 0.8643 |
239 | 6FR | 0.8642 |
240 | RGP | 0.8642 |
241 | FHV | 0.8642 |
242 | DLT | 0.8637 |
243 | D5X | 0.8636 |
244 | JGY | 0.8635 |
245 | DG6 | 0.8634 |
246 | TPM | 0.8631 |
247 | LXP | 0.8624 |
248 | 4VY | 0.8615 |
249 | BL0 | 0.8611 |
250 | 0OO | 0.8611 |
251 | 0CG | 0.8607 |
252 | 19N | 0.8604 |
253 | Q06 | 0.8604 |
254 | E9S | 0.8603 |
255 | KMH | 0.8601 |
256 | FZ3 | 0.8597 |
257 | MJW | 0.8589 |
258 | SPD | 0.8589 |
259 | 7XA | 0.8579 |
260 | S8G | 0.8577 |
261 | QBM | 0.8569 |
262 | 4A5 | 0.8568 |
263 | HJ7 | 0.8548 |
264 | 60L | 0.8545 |
265 | ZEZ | 0.8544 |
266 | 7C3 | 0.8540 |
267 | PSJ | 0.8527 |
268 | 3VR | 0.8523 |
269 | FWD | 0.8510 |
This union binding pocket(no: 1) in the query (biounit: 6c92.bio2) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6c92.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 6c92.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |