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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 | 2AY8 | Kd = 5.8 mM | 4TB | C8 H10 O2 S | c1cc(sc1)C.... |
2 | 2AY4 | Kd = 1.24 mM | PPT | C10 H12 O2 | Cc1ccc(cc1.... |
3 | 2AY7 | Kd = 5 mM | CLT | C10 H12 O2 | c1ccc(cc1).... |
4 | 2AY3 | Kd = 0.28 mM | MPP | C11 H14 O4 | COc1ccc(cc.... |
5 | 1AY8 | - | HCI | C9 H10 O2 | c1ccc(cc1).... |
6 | 1AY5 | - | MAE | C4 H4 O4 | C(=C/C(=O).... |
7 | 2AY9 | Kd = 6.9 mM | 5PV | C11 H14 O2 | c1ccc(cc1).... |
8 | 2AY6 | Kd = 0.78 mM | 3IB | C12 H13 N O2 | c1ccc2c(c1.... |
9 | 2AY2 | Kd = 13.1 mM | CXP | C9 H16 O2 | C1CCC(CC1).... |
10 | 2AY5 | Kd = 2.6 mM | IOP | C11 H11 N O2 | c1ccc2c(c1.... |
11 | 2AY1 | Kd = 5.14 mM | AHC | C9 H11 N O2 | c1cc(ccc1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 2AY8 | Kd = 5.8 mM | 4TB | C8 H10 O2 S | c1cc(sc1)C.... |
2 | 2AY4 | Kd = 1.24 mM | PPT | C10 H12 O2 | Cc1ccc(cc1.... |
3 | 2AY7 | Kd = 5 mM | CLT | C10 H12 O2 | c1ccc(cc1).... |
4 | 2AY3 | Kd = 0.28 mM | MPP | C11 H14 O4 | COc1ccc(cc.... |
5 | 1AY8 | - | HCI | C9 H10 O2 | c1ccc(cc1).... |
6 | 1AY5 | - | MAE | C4 H4 O4 | C(=C/C(=O).... |
7 | 2AY9 | Kd = 6.9 mM | 5PV | C11 H14 O2 | c1ccc(cc1).... |
8 | 2AY6 | Kd = 0.78 mM | 3IB | C12 H13 N O2 | c1ccc2c(c1.... |
9 | 2AY2 | Kd = 13.1 mM | CXP | C9 H16 O2 | C1CCC(CC1).... |
10 | 2AY5 | Kd = 2.6 mM | IOP | C11 H11 N O2 | c1ccc2c(c1.... |
11 | 2AY1 | Kd = 5.14 mM | AHC | C9 H11 N O2 | c1cc(ccc1C.... |
12 | 1X2A | - | PDG | C13 H19 N2 O9 P | Cc1c(c(c(c.... |
13 | 1CZE | Kd = 2.4 mM | SIN | C4 H6 O4 | C(CC(=O)O).... |
14 | 1AHX | Kd = 120 uM | HCI | C9 H10 O2 | c1ccc(cc1).... |
15 | 3PAA | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
16 | 3QPG | - | 3QP | C13 H16 N O9 P | Cc1ccc(c(c.... |
17 | 1QIT | - | MAE | C4 H4 O4 | C(=C/C(=O).... |
18 | 2QBT | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
19 | 1TOI | Kd = 0.09 mM | HCI | C9 H10 O2 | c1ccc(cc1).... |
20 | 1ASC | - | NPL | C9 H16 N2 O5 P | Cc1c(c(c(c.... |
21 | 1ASA | - | MAE | C4 H4 O4 | C(=C/C(=O).... |
22 | 1ARH | - | PPD | C12 H17 N2 O9 P | Cc1c(c(c(c.... |
23 | 1CZC | Kd = 1.5 mM | GUA | C5 H8 O4 | C(CC(=O)O).... |
24 | 1X29 | - | PMG | C14 H21 N2 O9 P | Cc1c(c(c(c.... |
25 | 1QIS | - | MAE | C4 H4 O4 | C(=C/C(=O).... |
26 | 1AMQ | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
27 | 4A00 | - | PP3 | C11 H17 N2 O7 P | Cc1c(c(c(c.... |
28 | 1IX7 | - | MAE | C4 H4 O4 | C(=C/C(=O).... |
29 | 1AMR | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
30 | 1TOK | Kd = 3.4 mM | MAE | C4 H4 O4 | C(=C/C(=O).... |
31 | 1ASM | - | MAE | C4 H4 O4 | C(=C/C(=O).... |
32 | 5VWQ | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
33 | 1AHG | - | TYR PLP | n/a | n/a |
34 | 5VWR | - | PL6 | C13 H17 N2 O9 P | Cc1c(c(c(c.... |
35 | 1AHF | - | IOP | C11 H11 N O2 | c1ccc2c(c1.... |
36 | 2QB2 | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
37 | 3ZZK | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
38 | 3PA9 | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
39 | 1B4X | - | MAE | C4 H4 O4 | C(=C/C(=O).... |
40 | 1X28 | - | PGU | C13 H19 N2 O9 P | Cc1c(c(c(c.... |
41 | 1YOO | - | IVA | C5 H10 O2 | CC(C)CC(=O.... |
42 | 1TOJ | Kd = 0.41 mM | HCI | C9 H10 O2 | c1ccc(cc1).... |
43 | 1SPA | - | NPL | C9 H16 N2 O5 P | Cc1c(c(c(c.... |
44 | 2Q7W | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
45 | 1TOG | Kd = 0.6 mM | HCI | C9 H10 O2 | c1ccc(cc1).... |
46 | 4DBC | - | 3QP | C13 H16 N O9 P | Cc1ccc(c(c.... |
47 | 1AIA | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
48 | 1ART | - | PLP 0A0 | n/a | n/a |
49 | 1CQ7 | - | PY5 | C13 H21 N2 O7 P | CCC[C@@H](.... |
50 | 1ASD | - | MAE | C4 H4 O4 | C(=C/C(=O).... |
51 | 1C9C | - | PP3 | C11 H17 N2 O7 P | Cc1c(c(c(c.... |
52 | 1CQ8 | - | PY6 | C14 H23 N2 O7 P | CCCC[C@@H].... |
53 | 2QA3 | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
54 | 1QIR | - | MAE | C4 H4 O4 | C(=C/C(=O).... |
55 | 1ARG | - | PPD | C12 H17 N2 O9 P | Cc1c(c(c(c.... |
56 | 1AIC | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
57 | 1AHY | Kd = 440 uM | MAE | C4 H4 O4 | C(=C/C(=O).... |
58 | 2QB3 | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
59 | 1MAP | - | KET | C12 H16 N2 O9 P | Cc1c(c(c(c.... |
60 | 1AKC | - | PPE | C13 H20 N2 O9 P | Cc1c(c(c(c.... |
61 | 1AMA | - | PLA | C13 H19 N2 O9 P | Cc1c(c(c(c.... |
62 | 1AKB | - | PPD | C12 H17 N2 O9 P | Cc1c(c(c(c.... |
63 | 1IVR | - | CBA | C12 H17 N2 O11 P | Cc1c(c(c(c.... |
64 | 1AKA | - | PLP | C8 H10 N O6 P | Cc1c(c(c(c.... |
65 | 1MAQ | - | PGU | C13 H19 N2 O9 P | Cc1c(c(c(c.... |
66 | 9AAT | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
67 | 1OXP | - | IK2 | C10 H15 N2 O8 P | Cc1c(c(c(c.... |
68 | 1OXO | - | IK2 | C10 H15 N2 O8 P | Cc1c(c(c(c.... |
69 | 4RKC | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
70 | 2CST | - | MAE | C4 H4 O4 | C(=C/C(=O).... |
71 | 1YAA | - | MAE | C4 H4 O4 | C(=C/C(=O).... |
72 | 6DND | - | PLP | C8 H10 N O6 P | Cc1c(c(c(c.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | FER | 0.9626 |
2 | DHC | 0.9510 |
3 | C9M | 0.9366 |
4 | N7I | 0.9353 |
5 | AC2 | 0.9302 |
6 | ZZ2 | 0.9298 |
7 | QH3 | 0.9269 |
8 | L21 | 0.9262 |
9 | 6Q3 | 0.9256 |
10 | 3D3 | 0.9236 |
11 | MMS | 0.9228 |
12 | DAH | 0.9226 |
13 | YOF | 0.9225 |
14 | IYR | 0.9209 |
15 | KLV | 0.9187 |
16 | IOP | 0.9176 |
17 | AMR | 0.9162 |
18 | HBI | 0.9162 |
19 | CTE | 0.9152 |
20 | DTE | 0.9138 |
21 | DHY | 0.9113 |
22 | YTX | 0.9108 |
23 | CHQ | 0.9105 |
24 | XQI | 0.9083 |
25 | 7PJ | 0.9082 |
26 | PLP | 0.9080 |
27 | 8NB | 0.9075 |
28 | AH9 | 0.9074 |
29 | NIY | 0.9068 |
30 | 92O | 0.9063 |
31 | ZYC | 0.9052 |
32 | EOL | 0.9052 |
33 | 9BF | 0.9041 |
34 | F52 | 0.9039 |
35 | PMP | 0.9035 |
36 | NPA | 0.9030 |
37 | ZIP | 0.9029 |
38 | PBG | 0.9029 |
39 | 3Y7 | 0.9025 |
40 | 6HP | 0.9025 |
41 | 7PS | 0.9023 |
42 | ZEA | 0.9023 |
43 | FUZ | 0.9022 |
44 | NAL | 0.9017 |
45 | GO8 | 0.9017 |
46 | 3C4 | 0.9016 |
47 | 2LT | 0.9008 |
48 | HC4 | 0.9006 |
49 | CFA | 0.9004 |
50 | CG | 0.9002 |
51 | G6P | 0.9001 |
52 | PLR | 0.9001 |
53 | 4BX | 0.9000 |
54 | EYJ | 0.8994 |
55 | 6J5 | 0.8985 |
56 | H4B | 0.8982 |
57 | H7Y | 0.8975 |
58 | DTR | 0.8975 |
59 | QBM | 0.8972 |
60 | ALE | 0.8970 |
61 | DT7 | 0.8962 |
62 | DE7 | 0.8962 |
63 | EGR | 0.8959 |
64 | HPP | 0.8958 |
65 | Z25 | 0.8945 |
66 | H4E | 0.8943 |
67 | BDI | 0.8943 |
68 | HPT | 0.8943 |
69 | BG6 | 0.8941 |
70 | E35 | 0.8938 |
71 | WA2 | 0.8937 |
72 | ZEZ | 0.8934 |
73 | TRP | 0.8934 |
74 | 3VX | 0.8932 |
75 | 2FX | 0.8930 |
76 | I2E | 0.8928 |
77 | 5O5 | 0.8928 |
78 | PPT | 0.8921 |
79 | N91 | 0.8918 |
80 | AEH | 0.8917 |
81 | ONZ | 0.8915 |
82 | TJM | 0.8914 |
83 | B4O | 0.8909 |
84 | 9F8 | 0.8907 |
85 | 0XR | 0.8906 |
86 | H2B | 0.8903 |
87 | BIO | 0.8902 |
88 | 4Z1 | 0.8900 |
89 | M6P | 0.8899 |
90 | AHC | 0.8896 |
91 | JXK | 0.8889 |
92 | 2KU | 0.8885 |
93 | NHT | 0.8884 |
94 | HA6 | 0.8882 |
95 | 4AB | 0.8878 |
96 | CMU | 0.8878 |
97 | YIH | 0.8876 |
98 | 2DL | 0.8875 |
99 | 5WT | 0.8875 |
100 | A4V | 0.8874 |
101 | KWB | 0.8874 |
102 | 2UD | 0.8872 |
103 | B21 | 0.8872 |
104 | TMG | 0.8871 |
105 | 8Y7 | 0.8871 |
106 | F90 | 0.8868 |
107 | P1J | 0.8867 |
108 | MPU | 0.8865 |
109 | 96Z | 0.8865 |
110 | MBP | 0.8863 |
111 | 42J | 0.8860 |
112 | PE2 | 0.8860 |
113 | H35 | 0.8859 |
114 | AZY | 0.8859 |
115 | TRF | 0.8855 |
116 | APS | 0.8852 |
117 | 8U3 | 0.8852 |
118 | X04 | 0.8845 |
119 | ITW | 0.8844 |
120 | 7AP | 0.8841 |
121 | D8Q | 0.8837 |
122 | ARP | 0.8836 |
123 | VXX | 0.8834 |
124 | 4Z9 | 0.8834 |
125 | 3EB | 0.8834 |
126 | 3D8 | 0.8834 |
127 | EYY | 0.8832 |
128 | RVE | 0.8828 |
129 | Q5M | 0.8827 |
130 | M6D | 0.8826 |
131 | PXP | 0.8820 |
132 | MP5 | 0.8819 |
133 | CCV | 0.8816 |
134 | SG2 | 0.8812 |
135 | 8XL | 0.8811 |
136 | FHV | 0.8809 |
137 | 55D | 0.8805 |
138 | 9VQ | 0.8804 |
139 | MUR | 0.8801 |
140 | FSU | 0.8801 |
141 | MUX | 0.8801 |
142 | GC3 | 0.8800 |
143 | 78P | 0.8799 |
144 | 4OG | 0.8797 |
145 | ENO | 0.8796 |
146 | OLN | 0.8796 |
147 | 14W | 0.8786 |
148 | E9S | 0.8785 |
149 | G1P | 0.8784 |
150 | 3IL | 0.8783 |
151 | TYR | 0.8783 |
152 | HHV | 0.8782 |
153 | NOK | 0.8782 |
154 | M02 | 0.8780 |
155 | LEU PRO | 0.8780 |
156 | RGG | 0.8779 |
157 | B23 | 0.8778 |
158 | W8G | 0.8774 |
159 | GLP | 0.8772 |
160 | EYV | 0.8770 |
161 | STT | 0.8770 |
162 | 5JT | 0.8769 |
163 | LNR | 0.8766 |
164 | YIE | 0.8766 |
165 | 0A1 | 0.8765 |
166 | S8G | 0.8764 |
167 | TLM | 0.8763 |
168 | TZM | 0.8763 |
169 | NQH | 0.8762 |
170 | 4R1 | 0.8762 |
171 | TLE | 0.8757 |
172 | 5WN | 0.8757 |
173 | TA6 | 0.8755 |
174 | 7MX | 0.8755 |
175 | BGP | 0.8751 |
176 | 0J4 | 0.8746 |
177 | C9E | 0.8740 |
178 | LTN | 0.8738 |
179 | JP2 | 0.8737 |
180 | ALN | 0.8737 |
181 | MXD | 0.8736 |
182 | 56N | 0.8732 |
183 | N2M | 0.8730 |
184 | B5A | 0.8728 |
185 | 6N4 | 0.8726 |
186 | RNK | 0.8726 |
187 | LDP | 0.8725 |
188 | CR1 | 0.8725 |
189 | J4K | 0.8717 |
190 | 5WS | 0.8709 |
191 | RQD | 0.8707 |
192 | QME | 0.8706 |
193 | 1ZC | 0.8705 |
194 | HWH | 0.8705 |
195 | 5WM | 0.8702 |
196 | AAN | 0.8700 |
197 | 3TC | 0.8699 |
198 | 6NZ | 0.8698 |
199 | EYM | 0.8698 |
200 | PYU | 0.8691 |
201 | NXL | 0.8690 |
202 | NB1 | 0.8689 |
203 | TZP | 0.8685 |
204 | MQG | 0.8684 |
205 | PLP PMP | 0.8683 |
206 | 3IB | 0.8683 |
207 | NFZ | 0.8683 |
208 | CC5 | 0.8678 |
209 | 9E3 | 0.8678 |
210 | SJK | 0.8678 |
211 | TOH | 0.8674 |
212 | 5WU | 0.8671 |
213 | 2UB | 0.8670 |
214 | 3LJ | 0.8669 |
215 | 327 | 0.8669 |
216 | SQV | 0.8666 |
217 | BB4 | 0.8666 |
218 | M1Z | 0.8666 |
219 | CMG | 0.8665 |
220 | BZE | 0.8663 |
221 | MD6 | 0.8661 |
222 | GZV | 0.8660 |
223 | F2W | 0.8660 |
224 | NEU | 0.8658 |
225 | 3B4 | 0.8657 |
226 | ASE | 0.8657 |
227 | TNX | 0.8653 |
228 | D6G | 0.8650 |
229 | YF3 | 0.8648 |
230 | NIP | 0.8647 |
231 | QIF | 0.8643 |
232 | ZYV | 0.8640 |
233 | OSB | 0.8639 |
234 | JYK | 0.8639 |
235 | SNR | 0.8637 |
236 | YE6 | 0.8636 |
237 | ZIQ | 0.8634 |
238 | RCV | 0.8634 |
239 | TR4 | 0.8632 |
240 | EYA | 0.8629 |
241 | F1X | 0.8627 |
242 | DT9 | 0.8626 |
243 | N18 | 0.8625 |
244 | EXD | 0.8617 |
245 | EXL | 0.8614 |
246 | KYN | 0.8612 |
247 | RLG | 0.8612 |
248 | NPL | 0.8608 |
249 | 8NX | 0.8608 |
250 | GNW | 0.8607 |
251 | 6ZW | 0.8606 |
252 | SYE | 0.8603 |
253 | ZME | 0.8603 |
254 | 0J2 | 0.8599 |
255 | SN0 | 0.8599 |
256 | 3VR | 0.8597 |
257 | CKU | 0.8596 |
258 | GRX | 0.8592 |
259 | TOM | 0.8590 |
260 | XRS | 0.8587 |
261 | NFK | 0.8578 |
262 | CX4 | 0.8576 |
263 | IL5 | 0.8573 |
264 | NEO | 0.8572 |
265 | X1P | 0.8570 |
266 | FCW | 0.8560 |
267 | AH6 | 0.8557 |
268 | YPN | 0.8557 |
269 | 263 | 0.8556 |
270 | AX3 | 0.8555 |
271 | S7G | 0.8553 |
272 | PW1 | 0.8545 |
273 | RES | 0.8540 |
274 | S7S | 0.8535 |
275 | FT6 | 0.8531 |
276 | 3JN | 0.8519 |
277 | 0W1 | 0.8517 |
278 | 4XF | 0.8510 |
This union binding pocket(no: 1) in the query (biounit: 2ay3.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2ay3.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |