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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 | 3GZ | 0.9593 |
2 | EYJ | 0.9551 |
3 | 4TB | 0.9479 |
4 | XI7 | 0.9460 |
5 | 1PS | 0.9382 |
6 | D53 | 0.9338 |
7 | IJ1 | 0.9313 |
8 | JFM | 0.9309 |
9 | LPA | 0.9309 |
10 | SB7 | 0.9303 |
11 | IJ6 | 0.9300 |
12 | BSA | 0.9293 |
13 | 4ZD | 0.9285 |
14 | LL2 | 0.9282 |
15 | 0V7 | 0.9273 |
16 | JKK | 0.9253 |
17 | HL6 | 0.9237 |
18 | 0V8 | 0.9227 |
19 | OJD | 0.9223 |
20 | HAR | 0.9222 |
21 | 3CX | 0.9221 |
22 | 4BX | 0.9218 |
23 | S0B | 0.9213 |
24 | D4G | 0.9213 |
25 | 11X | 0.9211 |
26 | 5TO | 0.9211 |
27 | 26P | 0.9198 |
28 | IJ4 | 0.9195 |
29 | JF5 | 0.9192 |
30 | N9M | 0.9185 |
31 | 4FP | 0.9184 |
32 | 6C9 | 0.9184 |
33 | T03 | 0.9178 |
34 | 4JK | 0.9172 |
35 | TPM | 0.9170 |
36 | DAR | 0.9170 |
37 | 0QA | 0.9163 |
38 | ARG | 0.9163 |
39 | RDV | 0.9163 |
40 | KLS | 0.9159 |
41 | BZQ | 0.9137 |
42 | 6C4 | 0.9131 |
43 | 6C5 | 0.9130 |
44 | MFY | 0.9116 |
45 | 3H2 | 0.9110 |
46 | XRX | 0.9108 |
47 | 3KJ | 0.9104 |
48 | A7Q | 0.9095 |
49 | 0OL | 0.9084 |
50 | 37E | 0.9083 |
51 | AHN | 0.9080 |
52 | S0F | 0.9079 |
53 | 3D3 | 0.9075 |
54 | 6MW | 0.9072 |
55 | 5LD | 0.9068 |
56 | EYY | 0.9063 |
57 | 6HN | 0.9062 |
58 | DA2 | 0.9062 |
59 | 9J6 | 0.9056 |
60 | NPI | 0.9055 |
61 | DHH | 0.9055 |
62 | 6FG | 0.9054 |
63 | KAP | 0.9054 |
64 | XRS | 0.9051 |
65 | 2NP | 0.9048 |
66 | RA7 | 0.9041 |
67 | EXY | 0.9040 |
68 | LVD | 0.9039 |
69 | PHE | 0.9035 |
70 | NBB | 0.9030 |
71 | 3S9 | 0.9027 |
72 | 6N4 | 0.9021 |
73 | 0XR | 0.9021 |
74 | SB9 | 0.9021 |
75 | D1G | 0.9018 |
76 | 3QO | 0.9017 |
77 | IPO | 0.9016 |
78 | GHQ | 0.9009 |
79 | PBN | 0.9008 |
80 | ILO | 0.9003 |
81 | PRO GLY | 0.8999 |
82 | HRG | 0.8998 |
83 | D1Y | 0.8992 |
84 | GG8 | 0.8990 |
85 | TOH | 0.8986 |
86 | API | 0.8983 |
87 | EQA | 0.8983 |
88 | DA3 | 0.8981 |
89 | WT2 | 0.8980 |
90 | 4DI | 0.8978 |
91 | 4YZ | 0.8976 |
92 | Z70 | 0.8973 |
93 | NFZ | 0.8972 |
94 | BZM | 0.8970 |
95 | GGB | 0.8965 |
96 | MJW | 0.8965 |
97 | P93 | 0.8964 |
98 | 3XH | 0.8963 |
99 | TZP | 0.8961 |
100 | FZ3 | 0.8959 |
101 | TEG | 0.8955 |
102 | MLY | 0.8946 |
103 | 3IP | 0.8944 |
104 | 5DL | 0.8942 |
105 | OCA | 0.8942 |
106 | 4TP | 0.8940 |
107 | 8CV | 0.8940 |
108 | G3M | 0.8940 |
109 | GVA | 0.8937 |
110 | M5B | 0.8935 |
111 | PPY | 0.8932 |
112 | 3VW | 0.8931 |
113 | Q06 | 0.8930 |
114 | KYN | 0.8929 |
115 | SAZ | 0.8925 |
116 | HX8 | 0.8922 |
117 | 8BD | 0.8920 |
118 | LPB | 0.8918 |
119 | PML | 0.8916 |
120 | ZZU | 0.8911 |
121 | 6HO | 0.8911 |
122 | 27K | 0.8910 |
123 | P1J | 0.8909 |
124 | RGP | 0.8899 |
125 | 3IB | 0.8898 |
126 | CIR | 0.8896 |
127 | ZEA | 0.8895 |
128 | 848 | 0.8894 |
129 | 58X | 0.8894 |
130 | OA1 | 0.8894 |
131 | HSA | 0.8893 |
132 | HL4 | 0.8889 |
133 | MD6 | 0.8888 |
134 | 1Q2 | 0.8877 |
135 | MLZ | 0.8875 |
136 | ALY | 0.8869 |
137 | DBE | 0.8869 |
138 | EGV | 0.8868 |
139 | HLP | 0.8868 |
140 | ENG | 0.8864 |
141 | S7V | 0.8861 |
142 | 11C | 0.8860 |
143 | NOT | 0.8860 |
144 | RE4 | 0.8856 |
145 | A18 | 0.8853 |
146 | VUR | 0.8849 |
147 | YTZ | 0.8849 |
148 | 36M | 0.8846 |
149 | MGB | 0.8845 |
150 | 4KJ | 0.8841 |
151 | SX2 | 0.8840 |
152 | OOG | 0.8839 |
153 | NNH | 0.8838 |
154 | KPA | 0.8835 |
155 | S8G | 0.8835 |
156 | I2E | 0.8832 |
157 | M5E | 0.8832 |
158 | JX7 | 0.8831 |
159 | A8K | 0.8829 |
160 | J9Y | 0.8829 |
161 | IAR | 0.8827 |
162 | DXG | 0.8824 |
163 | PHQ DAL | 0.8824 |
164 | GLR | 0.8824 |
165 | PUE | 0.8824 |
166 | N9J | 0.8821 |
167 | M6H | 0.8819 |
168 | 8AC | 0.8819 |
169 | ENV | 0.8810 |
170 | E9S | 0.8803 |
171 | TYR | 0.8803 |
172 | KNA | 0.8802 |
173 | DNN | 0.8798 |
174 | 011 | 0.8796 |
175 | PQV | 0.8795 |
176 | YIE | 0.8794 |
177 | D2G | 0.8791 |
178 | 22F | 0.8791 |
179 | SOJ | 0.8790 |
180 | 2J3 | 0.8788 |
181 | 5KJ | 0.8787 |
182 | 5SP | 0.8787 |
183 | N8C | 0.8786 |
184 | 531 | 0.8785 |
185 | 0OY | 0.8785 |
186 | B41 | 0.8784 |
187 | 6FR | 0.8778 |
188 | F98 | 0.8777 |
189 | R5P | 0.8775 |
190 | AHL | 0.8771 |
191 | GNW | 0.8771 |
192 | ENW | 0.8768 |
193 | 7VY | 0.8764 |
194 | 2JJ | 0.8763 |
195 | 1N5 | 0.8760 |
196 | 5WN | 0.8758 |
197 | 6XA | 0.8752 |
198 | JGY | 0.8751 |
199 | DKA | 0.8751 |
200 | 8YH | 0.8749 |
201 | T07 | 0.8749 |
202 | D8Q | 0.8747 |
203 | TZM | 0.8745 |
204 | 94X | 0.8744 |
205 | NMM | 0.8740 |
206 | S7G | 0.8738 |
207 | 0OM | 0.8733 |
208 | HNM | 0.8733 |
209 | MMS | 0.8733 |
210 | HXY | 0.8733 |
211 | YE6 | 0.8733 |
212 | FPL | 0.8731 |
213 | UN1 | 0.8729 |
214 | M3L | 0.8728 |
215 | GRQ | 0.8728 |
216 | D8Y | 0.8728 |
217 | DX5 | 0.8725 |
218 | PZX | 0.8724 |
219 | RV1 | 0.8722 |
220 | VIO | 0.8722 |
221 | F90 | 0.8719 |
222 | YOF | 0.8718 |
223 | J4K | 0.8716 |
224 | DI9 | 0.8715 |
225 | 2OR | 0.8713 |
226 | PHQ ALA | 0.8711 |
227 | MJ5 | 0.8707 |
228 | 1BN | 0.8705 |
229 | 1HR | 0.8704 |
230 | S8P | 0.8703 |
231 | 49G | 0.8696 |
232 | E8U | 0.8695 |
233 | K7M | 0.8694 |
234 | 7XA | 0.8690 |
235 | CXP | 0.8687 |
236 | HPZ | 0.8686 |
237 | 3W1 | 0.8677 |
238 | Q04 | 0.8676 |
239 | SSC | 0.8676 |
240 | 8SZ | 0.8673 |
241 | PMV | 0.8670 |
242 | 9VQ | 0.8667 |
243 | C53 | 0.8666 |
244 | PCS | 0.8664 |
245 | S46 | 0.8663 |
246 | 5O5 | 0.8662 |
247 | 6L6 | 0.8660 |
248 | LJ1 | 0.8660 |
249 | GXG | 0.8660 |
250 | IPE | 0.8659 |
251 | MES | 0.8655 |
252 | AHC | 0.8654 |
253 | CH8 | 0.8654 |
254 | YIH | 0.8653 |
255 | AX5 | 0.8646 |
256 | GLY GLY GLY | 0.8636 |
257 | 4Z0 | 0.8633 |
258 | 3YP | 0.8629 |
259 | XOG | 0.8628 |
260 | 7OD | 0.8622 |
261 | 9BF | 0.8617 |
262 | 5OY | 0.8609 |
263 | A5P | 0.8605 |
264 | 0OP | 0.8603 |
265 | 1YO | 0.8602 |
266 | GNR | 0.8602 |
267 | RP5 | 0.8596 |
268 | 9OD | 0.8591 |
269 | Q9Z | 0.8586 |
270 | DXP | 0.8585 |
271 | 64Z | 0.8583 |
272 | 1Q1 | 0.8579 |
273 | OH7 | 0.8571 |
274 | SPD | 0.8562 |
275 | L12 | 0.8560 |
276 | PA5 | 0.8559 |
277 | ISC | 0.8554 |
278 | N18 | 0.8550 |
279 | YPN | 0.8542 |
280 | IPR | 0.8535 |
281 | PLR | 0.8535 |
282 | HGA | 0.8532 |
283 | ITW | 0.8522 |
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 |