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- PDB : .ZIP | .CSV
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- 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 | 3CPO | - | FP2 | C6 H5 F O | c1ccc(c(c1.... |
2 | 1W6Y | Kd = 4.4 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
3 | 5AI1 | Kd = 0.34 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
4 | 5G2G | Kd = 0.9 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
5 | 6C17 | - | DNX | C6 H4 N2 O5 | c1cc(c(cc1.... |
6 | 1GS3 | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
7 | 5KP1 | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
8 | 1OHO | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
9 | 1CQS | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
10 | 3OWY | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
11 | 5KP4 | - | 6VW | C18 H26 O2 | C[C@]12CC[.... |
12 | 3IPT | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
13 | 1OH0 | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
14 | 1OGX | Kd = 0.81 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
15 | 1E3V | Kd = 45.74 uM | DXC | C24 H40 O4 | C[C@H](CCC.... |
16 | 6C1J | - | DNX | C6 H4 N2 O5 | c1cc(c(cc1.... |
17 | 6UFS | - | Q6J | C18 H28 O2 | C[C@]12CC[.... |
18 | 2PZV | Kd = 135 uM | IPH | C6 H6 O | c1ccc(cc1).... |
19 | 3FZW | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
20 | 6C1X | - | DNX | C6 H4 N2 O5 | c1cc(c(cc1.... |
21 | 3T8N | - | EDT | C10 H16 N2 O8 | C(CN(CC(=O.... |
22 | 1E3R | - | AND | C19 H28 O2 | C[C@]12CC[.... |
23 | 2INX | - | FFP | C6 H4 F2 O | c1cc(c(c(c.... |
24 | 3OWU | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
25 | 5KP3 | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
26 | 3OWS | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 3CPO | - | FP2 | C6 H5 F O | c1ccc(c(c1.... |
2 | 1W6Y | Kd = 4.4 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
3 | 5AI1 | Kd = 0.34 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
4 | 5G2G | Kd = 0.9 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
5 | 6C17 | - | DNX | C6 H4 N2 O5 | c1cc(c(cc1.... |
6 | 1GS3 | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
7 | 5KP1 | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
8 | 1OHO | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
9 | 1CQS | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
10 | 3OWY | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
11 | 5KP4 | - | 6VW | C18 H26 O2 | C[C@]12CC[.... |
12 | 3IPT | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
13 | 1OH0 | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
14 | 1OGX | Kd = 0.81 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
15 | 1E3V | Kd = 45.74 uM | DXC | C24 H40 O4 | C[C@H](CCC.... |
16 | 6C1J | - | DNX | C6 H4 N2 O5 | c1cc(c(cc1.... |
17 | 6UFS | - | Q6J | C18 H28 O2 | C[C@]12CC[.... |
18 | 2PZV | Kd = 135 uM | IPH | C6 H6 O | c1ccc(cc1).... |
19 | 3FZW | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
20 | 6C1X | - | DNX | C6 H4 N2 O5 | c1cc(c(cc1.... |
21 | 3T8N | - | EDT | C10 H16 N2 O8 | C(CN(CC(=O.... |
22 | 1E3R | - | AND | C19 H28 O2 | C[C@]12CC[.... |
23 | 2INX | - | FFP | C6 H4 F2 O | c1cc(c(c(c.... |
24 | 3OWU | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
25 | 5KP3 | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
26 | 3OWS | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
27 | 1OHS | - | 5SD | C19 H28 O2 | C[C@]12CCC.... |
28 | 5UGI | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
29 | 1OHP | - | ESR | C18 H26 O2 | C[C@]12CC[.... |
30 | 1QJG | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
31 | 1OGZ | Kd = 1.4 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | EQU | 0.9937 |
2 | J3Z | 0.9905 |
3 | EST | 0.9889 |
4 | ESR | 0.9872 |
5 | DHT | 0.9790 |
6 | 17M | 0.9759 |
7 | 5SD | 0.9715 |
8 | AOM | 0.9712 |
9 | ASD | 0.9711 |
10 | AOX | 0.9649 |
11 | ANB | 0.9640 |
12 | AOI | 0.9639 |
13 | ECS | 0.9635 |
14 | R18 | 0.9626 |
15 | ESL | 0.9619 |
16 | NQ8 | 0.9611 |
17 | ESZ | 0.9600 |
18 | AND | 0.9584 |
19 | CUE | 0.9540 |
20 | AON | 0.9460 |
21 | ESM | 0.9383 |
22 | STR | 0.9353 |
23 | PLO | 0.9298 |
24 | 3WF | 0.9293 |
25 | 272 | 0.9242 |
26 | 1V4 | 0.9146 |
27 | ANO | 0.9145 |
28 | 1DR | 0.9137 |
29 | IXM | 0.9135 |
30 | 397 | 0.9121 |
31 | 20D | 0.9119 |
32 | 17H | 0.9085 |
33 | 18E | 0.9080 |
34 | DX2 | 0.9075 |
35 | EES | 0.9074 |
36 | DFL | 0.9055 |
37 | A73 | 0.9033 |
38 | CX6 | 0.9011 |
39 | M3F | 0.9010 |
40 | DX7 | 0.9006 |
41 | E6Q | 0.9000 |
42 | 9CE | 0.8990 |
43 | 3F4 | 0.8990 |
44 | 40N | 0.8988 |
45 | X2M | 0.8981 |
46 | PRL | 0.8973 |
47 | 4ZF | 0.8967 |
48 | 4CN | 0.8964 |
49 | 7G0 | 0.8964 |
50 | 1V1 | 0.8962 |
51 | GEN | 0.8956 |
52 | BRY | 0.8954 |
53 | AO | 0.8954 |
54 | 0NJ | 0.8946 |
55 | PIQ | 0.8944 |
56 | 4AU | 0.8941 |
57 | 1V3 | 0.8940 |
58 | OLU | 0.8937 |
59 | 6BK | 0.8934 |
60 | 120 | 0.8932 |
61 | XYP XYP | 0.8932 |
62 | 8SK | 0.8926 |
63 | 5ER | 0.8924 |
64 | 1V8 | 0.8923 |
65 | 27F | 0.8923 |
66 | F40 | 0.8920 |
67 | 39Z | 0.8917 |
68 | 2J1 | 0.8912 |
69 | 0UL | 0.8912 |
70 | 1FL | 0.8910 |
71 | 5XL | 0.8909 |
72 | NDD | 0.8899 |
73 | 1CA | 0.8898 |
74 | WG8 | 0.8892 |
75 | IQZ | 0.8892 |
76 | SDN | 0.8890 |
77 | FSE | 0.8889 |
78 | MBT | 0.8888 |
79 | 0FR | 0.8887 |
80 | BMZ | 0.8887 |
81 | LIG | 0.8880 |
82 | G2V | 0.8879 |
83 | RHN | 0.8878 |
84 | 0OK | 0.8876 |
85 | XYS XYS | 0.8871 |
86 | 789 | 0.8865 |
87 | WLH | 0.8865 |
88 | SZ5 | 0.8864 |
89 | RGK | 0.8861 |
90 | QNM | 0.8856 |
91 | YZ9 | 0.8854 |
92 | HH6 | 0.8852 |
93 | II4 | 0.8850 |
94 | ADL | 0.8849 |
95 | P4L | 0.8849 |
96 | EED | 0.8849 |
97 | 7G2 | 0.8848 |
98 | YE6 | 0.8846 |
99 | OPA | 0.8845 |
100 | 6ZE | 0.8844 |
101 | 2QU | 0.8841 |
102 | HNT | 0.8839 |
103 | JF8 | 0.8837 |
104 | 6DQ | 0.8837 |
105 | 25F | 0.8830 |
106 | 47X | 0.8828 |
107 | CR4 | 0.8825 |
108 | L2K | 0.8820 |
109 | 801 | 0.8820 |
110 | ZTW | 0.8819 |
111 | BXS | 0.8819 |
112 | WV7 | 0.8815 |
113 | 2WU | 0.8814 |
114 | NKI | 0.8813 |
115 | 1UZ | 0.8812 |
116 | AP6 | 0.8809 |
117 | DY9 | 0.8805 |
118 | 5OR | 0.8803 |
119 | K7H | 0.8791 |
120 | NRA | 0.8790 |
121 | ZSP | 0.8787 |
122 | 5VU | 0.8786 |
123 | 1HP | 0.8785 |
124 | 0DF | 0.8784 |
125 | E9L | 0.8783 |
126 | 7EH | 0.8783 |
127 | DX8 | 0.8782 |
128 | A9B | 0.8781 |
129 | SQM | 0.8780 |
130 | D9Z | 0.8780 |
131 | 3WL | 0.8778 |
132 | 7FZ | 0.8778 |
133 | M3W | 0.8769 |
134 | 1R5 | 0.8768 |
135 | XYS XYP | 0.8767 |
136 | 124 | 0.8766 |
137 | 2PK | 0.8766 |
138 | 7L4 | 0.8764 |
139 | LI7 | 0.8764 |
140 | AGI | 0.8763 |
141 | 1YL | 0.8760 |
142 | LUM | 0.8760 |
143 | ESJ | 0.8752 |
144 | OTA | 0.8751 |
145 | 245 | 0.8751 |
146 | AQN | 0.8747 |
147 | QS4 | 0.8741 |
148 | NIF | 0.8740 |
149 | IDZ | 0.8740 |
150 | 1EL | 0.8740 |
151 | H4B | 0.8737 |
152 | 6QT | 0.8734 |
153 | 1XS | 0.8730 |
154 | JRO | 0.8730 |
155 | C0V | 0.8729 |
156 | CDJ | 0.8729 |
157 | AZN | 0.8728 |
158 | VUP | 0.8723 |
159 | SAU | 0.8722 |
160 | 122 | 0.8720 |
161 | Q0K | 0.8719 |
162 | 2GQ | 0.8717 |
163 | 2PV | 0.8715 |
164 | 5NN | 0.8714 |
165 | S98 | 0.8714 |
166 | CHQ | 0.8713 |
167 | A63 | 0.8713 |
168 | C4E | 0.8709 |
169 | 3D8 | 0.8708 |
170 | 08C | 0.8703 |
171 | VT3 | 0.8701 |
172 | HRM | 0.8701 |
173 | LFN | 0.8700 |
174 | Q8G | 0.8697 |
175 | H2W | 0.8697 |
176 | 79X | 0.8696 |
177 | 0MB | 0.8688 |
178 | AS4 | 0.8688 |
179 | ZRK | 0.8688 |
180 | UAY | 0.8684 |
181 | LU2 | 0.8683 |
182 | 4FC | 0.8680 |
183 | 0LA | 0.8678 |
184 | 3SU | 0.8678 |
185 | 2P3 | 0.8675 |
186 | E3U | 0.8675 |
187 | AX1 | 0.8671 |
188 | W8L | 0.8671 |
189 | 19E | 0.8670 |
190 | 3GX | 0.8670 |
191 | BIO | 0.8669 |
192 | RSV | 0.8666 |
193 | 97K | 0.8665 |
194 | 9JT | 0.8664 |
195 | BIH | 0.8661 |
196 | 5E5 | 0.8661 |
197 | NPS | 0.8656 |
198 | 5SJ | 0.8656 |
199 | MR4 | 0.8655 |
200 | HRD | 0.8655 |
201 | 6JM | 0.8655 |
202 | Z21 | 0.8654 |
203 | TFX | 0.8649 |
204 | 7FU | 0.8645 |
205 | AJG | 0.8645 |
206 | NYJ | 0.8642 |
207 | QUE | 0.8639 |
208 | TID | 0.8633 |
209 | 135 | 0.8633 |
210 | LR2 | 0.8632 |
211 | JCZ | 0.8629 |
212 | 8M5 | 0.8627 |
213 | RF2 | 0.8626 |
214 | 91F | 0.8621 |
215 | 5AD | 0.8615 |
216 | B61 | 0.8614 |
217 | EMO | 0.8614 |
218 | 833 | 0.8610 |
219 | B2E | 0.8608 |
220 | 6P3 | 0.8605 |
221 | 609 | 0.8605 |
222 | W23 | 0.8604 |
223 | HUL | 0.8602 |
224 | 3UG | 0.8597 |
225 | 1TJ | 0.8596 |
226 | NPX | 0.8594 |
227 | OA4 | 0.8594 |
228 | MR5 | 0.8590 |
229 | ADN | 0.8590 |
230 | 1WO | 0.8589 |
231 | 802 | 0.8588 |
232 | 1V0 | 0.8588 |
233 | FYR | 0.8586 |
234 | 5WW | 0.8585 |
235 | B7H | 0.8580 |
236 | A6W | 0.8580 |
237 | J38 | 0.8572 |
238 | 2QV | 0.8568 |
239 | CZ0 | 0.8560 |
240 | FXE | 0.8560 |
241 | LR8 | 0.8558 |
242 | 1Q2 | 0.8552 |
243 | 1FE | 0.8552 |
244 | 4GU | 0.8549 |
245 | 9KZ | 0.8540 |
246 | ITE | 0.8540 |
247 | MYU | 0.8537 |
248 | KN1 | 0.8527 |
249 | H52 | 0.8525 |
250 | IQW | 0.8524 |
251 | CG | 0.8516 |
This union binding pocket(no: 1) in the query (biounit: 5ai1.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5ai1.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |