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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 2 families. | |||||
1 | 1LJT | ic50 = 7 uM | HDI | C12 H13 N O4 | COC(=O)C[C.... |
2 | 3L5R | ic50 = 38 nM | 47X | C15 H10 O5 | c1cc(c(cc1.... |
3 | 5J7Q | Ki = 26.6 uM | 6H2 | C13 H10 N2 O2 | c1ccn2cc(n.... |
4 | 5HVT | Kd = 0.055 uM | NVS | C15 H13 N O4 | COc1ccc(cc.... |
5 | 5B4O | - | 6DQ | C13 H8 N2 O S | c1ccc2c(c1.... |
6 | 1GCZ | Ki = 7.4 uM | YZ9 | C12 H10 O5 | CCOC(=O)C1.... |
7 | 3L5P | - | 428 | C9 H11 N3 O | CC(C)c1cn2.... |
8 | 5HVS | Kd = 0.071 uM | 65V | C24 H15 F N4 O4 | c1cc(cc(c1.... |
9 | 6B1C | Kd = 0.111 uM | C9J | C17 H12 F N5 O2 | CN1C=Cc2cc.... |
10 | 3L5T | - | 956 | C20 H18 N4 O2 S | CN1c2ccccc.... |
11 | 3IJJ | - | EN1 | C9 H8 O4 | c1cc(ccc1/.... |
12 | 6CBG | Ki = 113 uM | EWG | C10 H8 N2 O2 | c1cc(cc(c1.... |
13 | 4K9G | - | 1Q1 | C12 H12 F N O3 | CC(=O)C[C@.... |
14 | 3IJG | Kd = 54 uM | AVR | C13 H17 N3 O | C[C@H](C(=.... |
15 | 4WRB | Ki = 0.65 uM | 3TW | C20 H18 N4 O3 | COCCOc1ccc.... |
16 | 1CA7 | - | ENO | C9 H8 O4 | c1cc(ccc1C.... |
17 | 2OOH | ic50 = 1.3 uM | OX3 | C14 H17 N O3 | c1cc(ccc1C.... |
18 | 2OOZ | ic50 = 7 uM | OX5 | C13 H17 N O3 | CC(C)(C)CC.... |
19 | 3DJI | - | 3E1 | C16 H16 N2 O4 | CC(=O)Nc1c.... |
20 | 6CBF | Ki = 6.8 uM | EWD | C16 H12 N2 O3 | c1ccc(cc1).... |
21 | 3L5U | - | ZEC | C7 H6 N2 O3 S2 | c1cc2c(cc1.... |
22 | 6CB5 | Ki = 4.3 uM | EV7 | C20 H14 N2 O3 | c1ccc2cc(c.... |
23 | 6B1K | Kd = 0.213 uM | C9G | C17 H13 N5 O2 | CN1C=Cc2cc.... |
24 | 3L5S | - | 88X | C15 H13 N3 O2 | CCC1=CC(=O.... |
25 | 6CBH | Ki = 0.51 uM | EWJ | C20 H13 F N2 O3 | c1ccc2cc(c.... |
26 | 3U18 | ic50 = 0.81 uM | Y0X | C34 H28 N6 O16 S4 | COc1c(ccc(.... |
27 | 6B2C | Kd = 0.094 uM | C9Y | C18 H12 F N5 O4 | c1cc(c(cc1.... |
28 | 1MFI | Ki = 2.6 uM | FHC | C9 H6 F O3 | c1cc(ccc1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1LJT | ic50 = 7 uM | HDI | C12 H13 N O4 | COC(=O)C[C.... |
2 | 3L5R | ic50 = 38 nM | 47X | C15 H10 O5 | c1cc(c(cc1.... |
3 | 5J7Q | Ki = 26.6 uM | 6H2 | C13 H10 N2 O2 | c1ccn2cc(n.... |
4 | 5HVT | Kd = 0.055 uM | NVS | C15 H13 N O4 | COc1ccc(cc.... |
5 | 5B4O | - | 6DQ | C13 H8 N2 O S | c1ccc2c(c1.... |
6 | 1GCZ | Ki = 7.4 uM | YZ9 | C12 H10 O5 | CCOC(=O)C1.... |
7 | 3L5P | - | 428 | C9 H11 N3 O | CC(C)c1cn2.... |
8 | 5HVS | Kd = 0.071 uM | 65V | C24 H15 F N4 O4 | c1cc(cc(c1.... |
9 | 6B1C | Kd = 0.111 uM | C9J | C17 H12 F N5 O2 | CN1C=Cc2cc.... |
10 | 3L5T | - | 956 | C20 H18 N4 O2 S | CN1c2ccccc.... |
11 | 3IJJ | - | EN1 | C9 H8 O4 | c1cc(ccc1/.... |
12 | 6CBG | Ki = 113 uM | EWG | C10 H8 N2 O2 | c1cc(cc(c1.... |
13 | 4K9G | - | 1Q1 | C12 H12 F N O3 | CC(=O)C[C@.... |
14 | 3IJG | Kd = 54 uM | AVR | C13 H17 N3 O | C[C@H](C(=.... |
15 | 4WRB | Ki = 0.65 uM | 3TW | C20 H18 N4 O3 | COCCOc1ccc.... |
16 | 1CA7 | - | ENO | C9 H8 O4 | c1cc(ccc1C.... |
17 | 2OOH | ic50 = 1.3 uM | OX3 | C14 H17 N O3 | c1cc(ccc1C.... |
18 | 2OOZ | ic50 = 7 uM | OX5 | C13 H17 N O3 | CC(C)(C)CC.... |
19 | 3DJI | - | 3E1 | C16 H16 N2 O4 | CC(=O)Nc1c.... |
20 | 6CBF | Ki = 6.8 uM | EWD | C16 H12 N2 O3 | c1ccc(cc1).... |
21 | 3L5U | - | ZEC | C7 H6 N2 O3 S2 | c1cc2c(cc1.... |
22 | 6CB5 | Ki = 4.3 uM | EV7 | C20 H14 N2 O3 | c1ccc2cc(c.... |
23 | 6B1K | Kd = 0.213 uM | C9G | C17 H13 N5 O2 | CN1C=Cc2cc.... |
24 | 3L5S | - | 88X | C15 H13 N3 O2 | CCC1=CC(=O.... |
25 | 6CBH | Ki = 0.51 uM | EWJ | C20 H13 F N2 O3 | c1ccc2cc(c.... |
26 | 3U18 | ic50 = 0.81 uM | Y0X | C34 H28 N6 O16 S4 | COc1c(ccc(.... |
27 | 6B2C | Kd = 0.094 uM | C9Y | C18 H12 F N5 O4 | c1cc(c(cc1.... |
28 | 4Q3F | - | TLA | C4 H6 O6 | [C@@H]([C@.... |
29 | 6C5F | Ki = 33 uM | 7L9 | C14 H9 N O6 | c1cc(cc(c1.... |
30 | 3RF5 | Ki = 2.37 uM | FUZ | C12 H11 N O3 | c1ccc(c(c1.... |
31 | 3RF4 | Ki = 0.56 uM | FUN | C12 H11 Cl N2 O5 S | c1cc(oc1)C.... |
32 | 1MFI | Ki = 2.6 uM | FHC | C9 H6 F O3 | c1cc(ccc1C.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 90G | 0.9501 |
2 | 4FC | 0.9464 |
3 | 1Q2 | 0.9419 |
4 | 7KE | 0.9301 |
5 | ZTW | 0.9272 |
6 | RF2 | 0.9272 |
7 | 6P3 | 0.9248 |
8 | 613 | 0.9239 |
9 | 90M | 0.9200 |
10 | D26 | 0.9173 |
11 | 397 | 0.9161 |
12 | S45 | 0.9151 |
13 | BSU | 0.9127 |
14 | L02 | 0.9107 |
15 | MMJ | 0.9105 |
16 | 5TU | 0.9099 |
17 | L03 | 0.9091 |
18 | HAU | 0.9086 |
19 | 27K | 0.9085 |
20 | SJR | 0.9084 |
21 | 72D | 0.9081 |
22 | TEF | 0.9076 |
23 | BP5 | 0.9071 |
24 | 7EH | 0.9070 |
25 | BZM | 0.9062 |
26 | 3K1 | 0.9061 |
27 | PQM | 0.9048 |
28 | JP8 | 0.9043 |
29 | CT0 | 0.9038 |
30 | 5DE | 0.9034 |
31 | Y27 | 0.9026 |
32 | 39R | 0.9020 |
33 | 5TT | 0.9019 |
34 | 3S9 | 0.9016 |
35 | D25 | 0.9015 |
36 | C0V | 0.9014 |
37 | C0E | 0.9013 |
38 | AT2 | 0.9011 |
39 | A11 | 0.9003 |
40 | A9B | 0.8995 |
41 | KPV | 0.8993 |
42 | SYD | 0.8992 |
43 | NVS | 0.8992 |
44 | 9EG | 0.8985 |
45 | 0QA | 0.8982 |
46 | 0MB | 0.8981 |
47 | F41 | 0.8980 |
48 | GJG | 0.8978 |
49 | CIU | 0.8969 |
50 | ENY | 0.8968 |
51 | G2V | 0.8968 |
52 | 8YH | 0.8967 |
53 | 1HP | 0.8963 |
54 | TFQ | 0.8957 |
55 | KWV | 0.8956 |
56 | BFL | 0.8956 |
57 | UMP | 0.8952 |
58 | 789 | 0.8951 |
59 | 7ZO | 0.8950 |
60 | BC5 | 0.8950 |
61 | PB2 | 0.8948 |
62 | HPK | 0.8944 |
63 | P7V | 0.8942 |
64 | 20P | 0.8931 |
65 | J84 | 0.8927 |
66 | EES | 0.8915 |
67 | D9Q | 0.8914 |
68 | PTR | 0.8908 |
69 | NNF | 0.8903 |
70 | SE5 | 0.8903 |
71 | LI7 | 0.8901 |
72 | N9M | 0.8900 |
73 | 3CX | 0.8898 |
74 | HHB | 0.8898 |
75 | HPX | 0.8896 |
76 | 5C1 | 0.8893 |
77 | K4T | 0.8890 |
78 | A9E | 0.8890 |
79 | 6H2 | 0.8889 |
80 | BSA | 0.8889 |
81 | S0B | 0.8886 |
82 | NAL | 0.8883 |
83 | 20N | 0.8882 |
84 | 0NJ | 0.8881 |
85 | 4ZW | 0.8878 |
86 | BX4 | 0.8878 |
87 | 2OX | 0.8877 |
88 | CWP | 0.8875 |
89 | SZA | 0.8873 |
90 | J2P | 0.8865 |
91 | 47X | 0.8864 |
92 | 8CC | 0.8862 |
93 | 0UL | 0.8859 |
94 | EEK | 0.8856 |
95 | NK5 | 0.8854 |
96 | 4CN | 0.8853 |
97 | 00G | 0.8852 |
98 | FCW | 0.8852 |
99 | A6Z | 0.8851 |
100 | OLU | 0.8849 |
101 | KLS | 0.8848 |
102 | 7GM | 0.8845 |
103 | 1R5 | 0.8838 |
104 | REG | 0.8836 |
105 | LIT | 0.8835 |
106 | 7EL | 0.8833 |
107 | KWD | 0.8832 |
108 | L15 | 0.8830 |
109 | 6IP | 0.8830 |
110 | LR8 | 0.8825 |
111 | H75 | 0.8825 |
112 | F5N | 0.8825 |
113 | STL | 0.8825 |
114 | 35K | 0.8820 |
115 | FMH | 0.8817 |
116 | 83D | 0.8813 |
117 | F91 | 0.8813 |
118 | N5B | 0.8813 |
119 | FLP | 0.8812 |
120 | DUL | 0.8812 |
121 | SQG | 0.8811 |
122 | UUL | 0.8810 |
123 | K3T | 0.8808 |
124 | J1K | 0.8807 |
125 | MFY | 0.8807 |
126 | HPF | 0.8806 |
127 | AX6 | 0.8804 |
128 | OJD | 0.8802 |
129 | A6E | 0.8801 |
130 | 120 | 0.8801 |
131 | HCC | 0.8799 |
132 | JVB | 0.8794 |
133 | 4UM | 0.8793 |
134 | SVG | 0.8793 |
135 | H50 | 0.8791 |
136 | BXS | 0.8788 |
137 | HL6 | 0.8786 |
138 | ESJ | 0.8782 |
139 | SX2 | 0.8781 |
140 | ZUF | 0.8780 |
141 | KOH | 0.8778 |
142 | 14N | 0.8777 |
143 | YZ9 | 0.8776 |
144 | JON | 0.8773 |
145 | 5NR | 0.8773 |
146 | 121 | 0.8773 |
147 | PHE ALA | 0.8773 |
148 | 124 | 0.8772 |
149 | S0A | 0.8771 |
150 | CR4 | 0.8768 |
151 | 135 | 0.8768 |
152 | 0H9 | 0.8764 |
153 | GHQ | 0.8761 |
154 | 122 | 0.8761 |
155 | 8V8 | 0.8761 |
156 | 3DE | 0.8759 |
157 | 9VZ | 0.8755 |
158 | 68C | 0.8754 |
159 | 801 | 0.8752 |
160 | 2Q0 | 0.8750 |
161 | 2JP | 0.8749 |
162 | GP6 | 0.8748 |
163 | IJ4 | 0.8746 |
164 | 250 | 0.8746 |
165 | YKN | 0.8742 |
166 | 0HY | 0.8741 |
167 | AD6 | 0.8740 |
168 | TPM | 0.8733 |
169 | BZH | 0.8728 |
170 | J2N | 0.8727 |
171 | 22J | 0.8725 |
172 | D2G | 0.8724 |
173 | 22M | 0.8724 |
174 | GJE | 0.8721 |
175 | IAG | 0.8721 |
176 | WW3 | 0.8721 |
177 | Q86 | 0.8720 |
178 | AZB | 0.8717 |
179 | RPN | 0.8717 |
180 | LWA | 0.8716 |
181 | EYY | 0.8716 |
182 | JVD | 0.8715 |
183 | M29 | 0.8714 |
184 | N08 | 0.8711 |
185 | SNV | 0.8711 |
186 | 4UE | 0.8704 |
187 | EYJ | 0.8704 |
188 | 856 | 0.8704 |
189 | 9W8 | 0.8697 |
190 | 0OM | 0.8695 |
191 | 6NF | 0.8694 |
192 | NPS | 0.8694 |
193 | U55 | 0.8688 |
194 | EUB | 0.8687 |
195 | HMO | 0.8685 |
196 | A98 | 0.8685 |
197 | 103 | 0.8683 |
198 | 72H | 0.8683 |
199 | MI2 | 0.8678 |
200 | 0S0 | 0.8677 |
201 | EZL | 0.8677 |
202 | PQS | 0.8676 |
203 | RGZ | 0.8675 |
204 | 23M | 0.8674 |
205 | L2K | 0.8669 |
206 | K97 | 0.8668 |
207 | 1PB | 0.8668 |
208 | ZE7 | 0.8667 |
209 | 0LA | 0.8666 |
210 | BMZ | 0.8665 |
211 | SWX | 0.8660 |
212 | A4Z | 0.8658 |
213 | 52F | 0.8657 |
214 | 246 | 0.8653 |
215 | 4Z0 | 0.8649 |
216 | EEY | 0.8647 |
217 | JAH | 0.8645 |
218 | 6SD | 0.8640 |
219 | 1GV | 0.8630 |
220 | LZ4 | 0.8626 |
221 | P4T | 0.8624 |
222 | GVI | 0.8620 |
223 | DI9 | 0.8619 |
224 | 4BG | 0.8619 |
225 | GOE | 0.8611 |
226 | 49G | 0.8609 |
227 | RKY | 0.8607 |
228 | FTK | 0.8596 |
229 | 2L1 | 0.8595 |
230 | LG6 | 0.8592 |
231 | U73 | 0.8588 |
232 | X6W | 0.8586 |
233 | 6DH | 0.8584 |
234 | M25 | 0.8583 |
235 | 7PS | 0.8583 |
236 | 4BX | 0.8582 |
237 | MQR | 0.8582 |
238 | Y0R | 0.8575 |
239 | 0QX | 0.8572 |
240 | J3B | 0.8562 |
241 | PMM | 0.8558 |
242 | EAA | 0.8557 |
243 | 1UA | 0.8553 |
244 | 47V | 0.8547 |
245 | 0OP | 0.8540 |
246 | QME | 0.8512 |
247 | 2UV | 0.8511 |
248 | E8Z | 0.8509 |
This union binding pocket(no: 1) in the query (biounit: 3l5r.bio1) has 79 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |