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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 41 families. | |||||
1 | 2HB9 | ic50 = 15 uM | L13 | C9 H10 N4 S | Cc1ccccc1C.... |
2 | 5DPX | - | L3B | C9 H7 N3 S | Cc1ccccc1C.... |
3 | 2GFJ | ic50 = 150 uM | VI | C17 H12 N2 O4 | c1ccc(cc1).... |
4 | 2GFK | ic50 = 30 uM | VII | C18 H12 O5 | c1ccc(cc1).... |
5 | 5EVB | Ki = 10 uM | 3R9 | C7 H11 N O2 S3 | C1[C@@H](N.... |
6 | 2AIO | - | MX1 | C18 H18 N2 O10 | CO[C@]([C@.... |
7 | 2QDT | Ki = 6.5 uM | I38 | C6 H11 N O3 S | C[C@H](C(=.... |
8 | 2FU8 | Ki = 20 uM | MCO | C9 H15 N O3 S | C[C@H](CS).... |
9 | 5EVK | Ki = 12 uM | 3C7 | C7 H11 N O2 S3 | C1[C@H](N2.... |
10 | 5EVD | Ki = 10 uM | VC2 | C9 H15 N O2 S3 | CC1([C@@H].... |
11 | 2FU9 | - | MP2 | C13 H16 N2 O5 S | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 23 families. | |||||
1 | 2HB9 | ic50 = 15 uM | L13 | C9 H10 N4 S | Cc1ccccc1C.... |
2 | 5DPX | - | L3B | C9 H7 N3 S | Cc1ccccc1C.... |
3 | 2GFJ | ic50 = 150 uM | VI | C17 H12 N2 O4 | c1ccc(cc1).... |
4 | 2GFK | ic50 = 30 uM | VII | C18 H12 O5 | c1ccc(cc1).... |
5 | 5EVB | Ki = 10 uM | 3R9 | C7 H11 N O2 S3 | C1[C@@H](N.... |
6 | 2AIO | - | MX1 | C18 H18 N2 O10 | CO[C@]([C@.... |
7 | 2QDT | Ki = 6.5 uM | I38 | C6 H11 N O3 S | C[C@H](C(=.... |
8 | 2FU8 | Ki = 20 uM | MCO | C9 H15 N O3 S | C[C@H](CS).... |
9 | 5EVK | Ki = 12 uM | 3C7 | C7 H11 N O2 S3 | C1[C@H](N2.... |
10 | 5EVD | Ki = 10 uM | VC2 | C9 H15 N O2 S3 | CC1([C@@H].... |
11 | 2FU9 | - | MP2 | C13 H16 N2 O5 S | c1ccc(cc1).... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 8VN | 0.9296 |
2 | PSV | 0.9257 |
3 | KDF | 0.9189 |
4 | GIM | 0.9128 |
5 | FRU | 0.9113 |
6 | GLO | 0.9110 |
7 | TVP | 0.9102 |
8 | LFR | 0.9065 |
9 | FHN | 0.9055 |
10 | 2M5 | 0.9054 |
11 | XX3 | 0.9050 |
12 | MMA | 0.9040 |
13 | AMG | 0.9028 |
14 | BGC | 0.9027 |
15 | SOL | 0.9011 |
16 | NTM | 0.8995 |
17 | SF6 | 0.8986 |
18 | GYP | 0.8973 |
19 | FA3 | 0.8973 |
20 | ALA PRO | 0.8971 |
21 | MBG | 0.8968 |
22 | 8WQ | 0.8966 |
23 | GLC | 0.8962 |
24 | MAN | 0.8960 |
25 | SHG | 0.8956 |
26 | 329 | 0.8943 |
27 | BMA | 0.8934 |
28 | AH8 | 0.8930 |
29 | MVL | 0.8928 |
30 | 2MN | 0.8920 |
31 | 8S0 | 0.8916 |
32 | FUD | 0.8914 |
33 | SOR | 0.8912 |
34 | CBF | 0.8908 |
35 | Q6T | 0.8906 |
36 | KBG | 0.8901 |
37 | GCS | 0.8899 |
38 | GIV | 0.8895 |
39 | ICT | 0.8889 |
40 | HIO | 0.8889 |
41 | ECG | 0.8887 |
42 | GOX | 0.8887 |
43 | DQA | 0.8885 |
44 | SRO | 0.8879 |
45 | IJZ | 0.8879 |
46 | GAL | 0.8878 |
47 | ATH | 0.8877 |
48 | 5WX | 0.8877 |
49 | NGO | 0.8873 |
50 | G3F | 0.8868 |
51 | FOT | 0.8867 |
52 | XLS | 0.8867 |
53 | 1AL | 0.8864 |
54 | G8M | 0.8864 |
55 | GLY PRO | 0.8863 |
56 | HLZ | 0.8857 |
57 | GV9 | 0.8856 |
58 | 5MK | 0.8855 |
59 | 8VE | 0.8855 |
60 | HHA | 0.8854 |
61 | SER PRO | 0.8850 |
62 | ZWZ | 0.8849 |
63 | OMD | 0.8847 |
64 | PSJ | 0.8845 |
65 | V55 | 0.8840 |
66 | VNL | 0.8839 |
67 | REL | 0.8839 |
68 | KDG | 0.8837 |
69 | 5M0 | 0.8837 |
70 | CIT | 0.8833 |
71 | 2ZQ | 0.8832 |
72 | M0Q | 0.8832 |
73 | LGC | 0.8831 |
74 | 8TW | 0.8830 |
75 | AIN | 0.8825 |
76 | AOS | 0.8822 |
77 | AN0 | 0.8821 |
78 | 95Z | 0.8821 |
79 | GLT | 0.8818 |
80 | 2H5 | 0.8815 |
81 | 3Z8 | 0.8811 |
82 | 42C | 0.8809 |
83 | 54G | 0.8808 |
84 | 0LH | 0.8806 |
85 | N8P | 0.8802 |
86 | FH2 | 0.8801 |
87 | FDK | 0.8801 |
88 | 9MG | 0.8801 |
89 | ADA | 0.8796 |
90 | 3Z7 | 0.8794 |
91 | HPT | 0.8793 |
92 | TAR | 0.8791 |
93 | GLA | 0.8791 |
94 | FUL | 0.8791 |
95 | DHK | 0.8790 |
96 | 2FG | 0.8788 |
97 | I3A | 0.8788 |
98 | F12 | 0.8787 |
99 | SKM | 0.8787 |
100 | ENL | 0.8783 |
101 | 7VJ | 0.8776 |
102 | 9TZ | 0.8776 |
103 | YIO | 0.8775 |
104 | 5RG | 0.8774 |
105 | XXR | 0.8774 |
106 | LRH | 0.8774 |
107 | SF9 | 0.8774 |
108 | LT3 | 0.8774 |
109 | GAF | 0.8773 |
110 | DBJ | 0.8771 |
111 | X6X | 0.8769 |
112 | KAI | 0.8769 |
113 | FA6 | 0.8768 |
114 | 7VS | 0.8768 |
115 | 6LW | 0.8767 |
116 | MFU | 0.8760 |
117 | NTZ | 0.8760 |
118 | PCV | 0.8756 |
119 | SXS | 0.8754 |
120 | RBL | 0.8752 |
121 | 5WY | 0.8752 |
122 | AKH | 0.8751 |
123 | NCD | 0.8751 |
124 | FLC | 0.8751 |
125 | 293 | 0.8751 |
126 | 289 | 0.8750 |
127 | MWP | 0.8746 |
128 | EYK | 0.8746 |
129 | GTQ | 0.8742 |
130 | DIU | 0.8741 |
131 | MFB | 0.8739 |
132 | 7A2 | 0.8738 |
133 | DBX | 0.8736 |
134 | XH2 | 0.8734 |
135 | 3MG | 0.8733 |
136 | ALL | 0.8732 |
137 | X09 | 0.8731 |
138 | FUC | 0.8730 |
139 | 7N0 | 0.8729 |
140 | TTL | 0.8729 |
141 | TRA | 0.8728 |
142 | UEG | 0.8726 |
143 | 2TQ | 0.8725 |
144 | GIO | 0.8725 |
145 | EOL | 0.8725 |
146 | 4M4 | 0.8724 |
147 | EUG | 0.8724 |
148 | F0J | 0.8723 |
149 | FA1 | 0.8719 |
150 | 12M | 0.8715 |
151 | CTS | 0.8713 |
152 | WOO | 0.8705 |
153 | GLF | 0.8704 |
154 | HQ9 | 0.8703 |
155 | C2U | 0.8702 |
156 | MA3 | 0.8701 |
157 | AME | 0.8700 |
158 | 25W | 0.8699 |
159 | 2AS | 0.8694 |
160 | 3CU | 0.8694 |
161 | 149 | 0.8694 |
162 | GTR | 0.8694 |
163 | IPZ | 0.8692 |
164 | RM1 | 0.8691 |
165 | R9S | 0.8690 |
166 | 15L | 0.8690 |
167 | 1P7 | 0.8687 |
168 | GTL | 0.8687 |
169 | ZB6 | 0.8685 |
170 | UAN | 0.8685 |
171 | B0D | 0.8683 |
172 | ASC | 0.8683 |
173 | HTP | 0.8680 |
174 | 7A3 | 0.8680 |
175 | PRZ | 0.8680 |
176 | 4ME | 0.8679 |
177 | GCB | 0.8678 |
178 | EVA | 0.8677 |
179 | SWA | 0.8675 |
180 | GXL | 0.8671 |
181 | DIG | 0.8670 |
182 | ICB | 0.8670 |
183 | M1E | 0.8669 |
184 | GLG | 0.8669 |
185 | ZB1 | 0.8669 |
186 | KDO | 0.8667 |
187 | GLU | 0.8667 |
188 | RAM | 0.8659 |
189 | 94B | 0.8657 |
190 | GLY ASP | 0.8657 |
191 | BDP | 0.8657 |
192 | HA7 | 0.8653 |
193 | 41K | 0.8652 |
194 | BK9 | 0.8652 |
195 | 6CS | 0.8651 |
196 | CCB | 0.8649 |
197 | 091 | 0.8649 |
198 | 512 | 0.8649 |
199 | 7D2 | 0.8648 |
200 | FXH | 0.8646 |
201 | G4D | 0.8645 |
202 | INS | 0.8644 |
203 | 3MB | 0.8642 |
204 | 32O | 0.8641 |
205 | SRT | 0.8640 |
206 | 2PG | 0.8638 |
207 | H7Y | 0.8638 |
208 | 3C4 | 0.8637 |
209 | QAT | 0.8635 |
210 | 3IT | 0.8635 |
211 | N7P | 0.8635 |
212 | DMJ | 0.8634 |
213 | 0F9 | 0.8632 |
214 | Q88 | 0.8631 |
215 | 1GN | 0.8627 |
216 | 0P6 | 0.8627 |
217 | PA1 | 0.8625 |
218 | SOE | 0.8621 |
219 | TFU | 0.8620 |
220 | T9G | 0.8620 |
221 | PXL | 0.8620 |
222 | RNS | 0.8619 |
223 | AHR | 0.8619 |
224 | BDF | 0.8619 |
225 | 7NI | 0.8618 |
226 | MNM | 0.8617 |
227 | AEZ | 0.8617 |
228 | GOG | 0.8616 |
229 | 5RN | 0.8614 |
230 | 3BU | 0.8613 |
231 | FBV | 0.8611 |
232 | 5ZZ | 0.8611 |
233 | 3HP | 0.8602 |
234 | RM4 | 0.8602 |
235 | IFL | 0.8601 |
236 | KBB | 0.8600 |
237 | 9FQ | 0.8599 |
238 | DHB | 0.8597 |
239 | 7HQ | 0.8596 |
240 | EDR | 0.8595 |
241 | X1E | 0.8592 |
242 | GCV | 0.8580 |
243 | PZI | 0.8579 |
244 | KIB | 0.8577 |
245 | B53 | 0.8576 |
246 | 6R8 | 0.8575 |
247 | APG | 0.8574 |
248 | RPQ | 0.8572 |
249 | VOH | 0.8571 |
250 | GYE | 0.8568 |
251 | 6XI | 0.8567 |
252 | 94E | 0.8566 |
253 | NMJ | 0.8560 |
254 | FUF | 0.8555 |
255 | MEV | 0.8551 |
256 | FSW | 0.8541 |
257 | 9KH | 0.8538 |
258 | K3Q | 0.8536 |
259 | D3M | 0.8535 |
260 | XXG | 0.8535 |
261 | 2LY | 0.8531 |
262 | MN9 | 0.8529 |
263 | 4NC | 0.8527 |
This union binding pocket(no: 1) in the query (biounit: 2qdt.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2qdt.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2qdt.bio2) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2qdt.bio2) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |