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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 7 families. | |||||
1 | 3S2Z | - | DHC | C9 H8 O4 | c1cc(c(cc1.... |
2 | 3PFC | - | FER | C10 H10 O4 | COc1cc(ccc.... |
3 | 3QM1 | - | ZYC | C12 H14 O4 | CCOC(=O)/C.... |
4 | 3PFB | - | ZYC | C12 H14 O4 | CCOC(=O)/C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 6 families. | |||||
1 | 3S2Z | - | DHC | C9 H8 O4 | c1cc(c(cc1.... |
2 | 3PFC | - | FER | C10 H10 O4 | COc1cc(ccc.... |
3 | 3QM1 | - | ZYC | C12 H14 O4 | CCOC(=O)/C.... |
4 | 3PFB | - | ZYC | C12 H14 O4 | CCOC(=O)/C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ZYC | 1 | 1 |
2 | GJK | 0.647059 | 0.758621 |
3 | FER | 0.647059 | 0.766667 |
4 | 0XR | 0.641509 | 0.83871 |
5 | PWF | 0.615385 | 0.818182 |
6 | CUR | 0.557377 | 0.705882 |
7 | CIY | 0.54717 | 0.724138 |
8 | H7Y | 0.529412 | 0.689655 |
9 | EUG | 0.529412 | 0.689655 |
10 | N7I | 0.509091 | 0.774194 |
11 | C9M | 0.491228 | 0.806452 |
12 | V55 | 0.45283 | 0.689655 |
13 | PWH | 0.444444 | 0.742857 |
14 | 4M4 | 0.425926 | 0.633333 |
15 | 4FE | 0.4 | 0.766667 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | EMF | 0.9211 |
2 | KWV | 0.9133 |
3 | 1Q2 | 0.9128 |
4 | 3IB | 0.9102 |
5 | EEK | 0.9083 |
6 | BC3 | 0.9079 |
7 | ZEA | 0.9059 |
8 | C4E | 0.9059 |
9 | 1Q1 | 0.9056 |
10 | MPP | 0.9052 |
11 | 3N0 | 0.9037 |
12 | AC2 | 0.9036 |
13 | 7GP | 0.9024 |
14 | QH3 | 0.9021 |
15 | 12R | 0.9018 |
16 | GOE | 0.9015 |
17 | DHC | 0.9014 |
18 | 5ER | 0.9009 |
19 | DE7 | 0.9004 |
20 | 28A | 0.9002 |
21 | B5A | 0.9001 |
22 | JCQ | 0.8993 |
23 | ND5 | 0.8990 |
24 | TR7 | 0.8985 |
25 | LJ1 | 0.8983 |
26 | ERZ | 0.8978 |
27 | 1XS | 0.8964 |
28 | D8I | 0.8961 |
29 | ETV | 0.8953 |
30 | HJ1 | 0.8951 |
31 | STV | 0.8948 |
32 | ASE | 0.8946 |
33 | ZIP | 0.8943 |
34 | 5HG | 0.8943 |
35 | YIH | 0.8935 |
36 | SB9 | 0.8930 |
37 | RCV | 0.8928 |
38 | WA2 | 0.8928 |
39 | RUG | 0.8923 |
40 | DAH | 0.8918 |
41 | G30 | 0.8914 |
42 | AZY | 0.8913 |
43 | AUY | 0.8913 |
44 | MBP | 0.8908 |
45 | GZV | 0.8907 |
46 | N5B | 0.8906 |
47 | NIY | 0.8905 |
48 | KLS | 0.8905 |
49 | ALE | 0.8897 |
50 | S0A | 0.8897 |
51 | GA2 | 0.8886 |
52 | 3D8 | 0.8886 |
53 | H35 | 0.8885 |
54 | BDI | 0.8885 |
55 | 0V7 | 0.8881 |
56 | 5O5 | 0.8881 |
57 | UL1 | 0.8877 |
58 | ALJ | 0.8875 |
59 | EMU | 0.8872 |
60 | A6Z | 0.8866 |
61 | YOF | 0.8866 |
62 | WG8 | 0.8859 |
63 | UN4 | 0.8858 |
64 | DL6 | 0.8857 |
65 | 245 | 0.8857 |
66 | DTR | 0.8857 |
67 | TRP | 0.8856 |
68 | 8GP | 0.8852 |
69 | BXS | 0.8850 |
70 | EQA | 0.8848 |
71 | IJ4 | 0.8847 |
72 | WCU | 0.8844 |
73 | STL | 0.8843 |
74 | ZZ2 | 0.8842 |
75 | D8Q | 0.8842 |
76 | L12 | 0.8835 |
77 | BVB | 0.8832 |
78 | 1A6 | 0.8830 |
79 | PMM | 0.8829 |
80 | AOY | 0.8826 |
81 | IJ1 | 0.8824 |
82 | BTN | 0.8822 |
83 | FSU | 0.8820 |
84 | LVB | 0.8820 |
85 | EDG AHR | 0.8819 |
86 | IYR | 0.8818 |
87 | LSQ | 0.8818 |
88 | JKK | 0.8814 |
89 | AMR | 0.8812 |
90 | IEE | 0.8812 |
91 | 7HV | 0.8809 |
92 | S7D | 0.8806 |
93 | D1Y | 0.8804 |
94 | U55 | 0.8797 |
95 | 2M7 | 0.8795 |
96 | 2P3 | 0.8793 |
97 | E9S | 0.8792 |
98 | DTB | 0.8790 |
99 | 8BD | 0.8788 |
100 | QBM | 0.8787 |
101 | IW4 | 0.8787 |
102 | R4E | 0.8786 |
103 | 0OP | 0.8785 |
104 | IOP | 0.8784 |
105 | 0V8 | 0.8781 |
106 | NW1 | 0.8781 |
107 | TB8 | 0.8780 |
108 | LLG | 0.8778 |
109 | 2LT | 0.8775 |
110 | JBB | 0.8775 |
111 | RQD | 0.8773 |
112 | LJ2 | 0.8769 |
113 | 5B2 | 0.8766 |
114 | 4BX | 0.8765 |
115 | Q2S | 0.8764 |
116 | ML1 | 0.8763 |
117 | Q5M | 0.8763 |
118 | N9M | 0.8758 |
119 | BHG | 0.8753 |
120 | 38E | 0.8753 |
121 | FF2 | 0.8753 |
122 | 108 | 0.8752 |
123 | HL6 | 0.8751 |
124 | RE2 | 0.8749 |
125 | 3S9 | 0.8749 |
126 | PE2 | 0.8748 |
127 | S0D | 0.8747 |
128 | CMG | 0.8744 |
129 | RE4 | 0.8744 |
130 | ZRK | 0.8739 |
131 | JZR | 0.8737 |
132 | B4L | 0.8732 |
133 | 0SY | 0.8730 |
134 | CTE | 0.8726 |
135 | OLU | 0.8726 |
136 | 4ZF | 0.8722 |
137 | 5E5 | 0.8720 |
138 | 3GZ | 0.8720 |
139 | 0QV | 0.8717 |
140 | 6H2 | 0.8714 |
141 | 0QA | 0.8714 |
142 | TL5 | 0.8711 |
143 | 1BW | 0.8710 |
144 | HHV | 0.8709 |
145 | 6HP | 0.8709 |
146 | 1Q4 | 0.8708 |
147 | MMS | 0.8706 |
148 | 9JT | 0.8704 |
149 | 3IP | 0.8704 |
150 | LI7 | 0.8703 |
151 | 9BF | 0.8702 |
152 | 00G | 0.8699 |
153 | 9PP | 0.8698 |
154 | 6C5 | 0.8698 |
155 | ZRL | 0.8697 |
156 | JYK | 0.8697 |
157 | L2K | 0.8695 |
158 | AZC | 0.8695 |
159 | A9B | 0.8694 |
160 | PLP | 0.8693 |
161 | NU3 | 0.8692 |
162 | OX2 | 0.8692 |
163 | 1KN | 0.8692 |
164 | RB7 | 0.8687 |
165 | SNV | 0.8685 |
166 | 4TX | 0.8684 |
167 | KYN | 0.8684 |
168 | DTE | 0.8684 |
169 | RNK | 0.8684 |
170 | GB5 | 0.8683 |
171 | FY8 | 0.8680 |
172 | 5SJ | 0.8680 |
173 | LR2 | 0.8678 |
174 | N2Y | 0.8676 |
175 | YIP | 0.8676 |
176 | KUP | 0.8674 |
177 | F52 | 0.8672 |
178 | 5TU | 0.8668 |
179 | X2L | 0.8668 |
180 | HPK | 0.8666 |
181 | TPM | 0.8665 |
182 | IMI | 0.8665 |
183 | DCN | 0.8660 |
184 | 6NJ | 0.8659 |
185 | GNW | 0.8656 |
186 | CBE | 0.8655 |
187 | BB4 | 0.8653 |
188 | IMK | 0.8653 |
189 | NAL | 0.8650 |
190 | 4CN | 0.8649 |
191 | C0V | 0.8647 |
192 | 22F | 0.8642 |
193 | 91F | 0.8640 |
194 | EEY | 0.8640 |
195 | KWK | 0.8638 |
196 | GJB | 0.8635 |
197 | GXG | 0.8630 |
198 | BGK | 0.8626 |
199 | LRW | 0.8622 |
200 | BTQ | 0.8621 |
201 | 6T5 | 0.8620 |
202 | NHT | 0.8620 |
203 | OA5 | 0.8620 |
204 | PLR | 0.8619 |
205 | 5WW | 0.8616 |
206 | A63 | 0.8615 |
207 | 4WF | 0.8615 |
208 | UKV | 0.8614 |
209 | CDJ | 0.8614 |
210 | 2JX | 0.8612 |
211 | O9Z | 0.8612 |
212 | NK5 | 0.8611 |
213 | U4J | 0.8608 |
214 | BVS | 0.8608 |
215 | JD7 | 0.8606 |
216 | TOM | 0.8605 |
217 | VIB | 0.8605 |
218 | 47V | 0.8604 |
219 | P80 | 0.8597 |
220 | NAR | 0.8594 |
221 | LYS PRO | 0.8594 |
222 | 5M2 | 0.8594 |
223 | T03 | 0.8592 |
224 | A51 | 0.8592 |
225 | ZE7 | 0.8590 |
226 | 613 | 0.8586 |
227 | 1FL | 0.8582 |
228 | AHR AHR | 0.8581 |
229 | NEU | 0.8580 |
230 | 0X2 | 0.8566 |
231 | AYS | 0.8561 |
232 | OSY | 0.8560 |
233 | AWE | 0.8559 |
234 | GLY SIN PRO | 0.8554 |
235 | SZ5 | 0.8551 |
236 | FWD | 0.8550 |
237 | 697 | 0.8547 |
238 | 68B | 0.8546 |
239 | A7Q | 0.8546 |
240 | 2QV | 0.8544 |
241 | SXX | 0.8544 |
242 | CWD | 0.8541 |
243 | 0K7 | 0.8540 |
244 | ESJ | 0.8532 |
245 | 9EG | 0.8532 |
246 | XJ2 | 0.8530 |
247 | BWD | 0.8528 |
248 | SAZ | 0.8527 |
249 | 1EB | 0.8525 |
This union binding pocket(no: 1) in the query (biounit: 3qm1.bio2) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5XH2 | NPO | 17.1756 |
This union binding pocket(no: 2) in the query (biounit: 3qm1.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5XH2 | NPO | 17.1756 |
This union binding pocket(no: 3) in the query (biounit: 3qm1.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |