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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 3 families. | |||||
1 | 3FJX | - | S3P | C7 H11 O8 P | C1[C@H]([C.... |
2 | 1MI4 | - | S3P | C7 H11 O8 P | C1[C@H]([C.... |
3 | 1X8T | Ki = 16 nM | RC1 | C10 H16 O13 P2 | C[C@@](C(=.... |
4 | 3FJZ | Ki = 90 uM | GPF | C3 H8 N O5 P | C(C(=O)O)N.... |
5 | 2AAY | ic50 = 1.7 mM | GPJ | C3 H9 N O5 P | C(C(=O)O)[.... |
6 | 2AA9 | - | SKM | C7 H10 O5 | C1[C@H]([C.... |
7 | 1G6S | - | GPJ | C3 H9 N O5 P | C(C(=O)O)[.... |
8 | 3FK1 | Ki = 2420 uM | GPF | C3 H8 N O5 P | C(C(=O)O)N.... |
9 | 1X8R | Ki = 2.9 uM | SC1 | C10 H16 O13 P2 | C[C@](C(=O.... |
10 | 2QFT | Ki = 5.5 uM | S3P | C7 H11 O8 P | C1[C@H]([C.... |
11 | 1G6T | - | S3P | C7 H11 O8 P | C1[C@H]([C.... |
12 | 2QFQ | ic50 = 66 uM | S3P | C7 H11 O8 P | C1[C@H]([C.... |
13 | 2QFS | Ki = 5.5 uM | S3P | C7 H11 O8 P | C1[C@H]([C.... |
14 | 3FK0 | - | S3P | C7 H11 O8 P | C1[C@H]([C.... |
15 | 2PQ9 | Ki = 7.8 nM | GG9 | C10 H14 F2 O14 P2 | C1[C@H]([C.... |
16 | 2QFU | Ki = 66 uM | S3P | C7 H11 O8 P | C1[C@H]([C.... |
17 | 1Q36 | - | SKP | C10 H16 O14 P2 | C[C@](C(=O.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 3FJX | - | S3P | C7 H11 O8 P | C1[C@H]([C.... |
2 | 1MI4 | - | S3P | C7 H11 O8 P | C1[C@H]([C.... |
3 | 1X8T | Ki = 16 nM | RC1 | C10 H16 O13 P2 | C[C@@](C(=.... |
4 | 3FJZ | Ki = 90 uM | GPF | C3 H8 N O5 P | C(C(=O)O)N.... |
5 | 2AAY | ic50 = 1.7 mM | GPJ | C3 H9 N O5 P | C(C(=O)O)[.... |
6 | 2AA9 | - | SKM | C7 H10 O5 | C1[C@H]([C.... |
7 | 1G6S | - | GPJ | C3 H9 N O5 P | C(C(=O)O)[.... |
8 | 3FK1 | Ki = 2420 uM | GPF | C3 H8 N O5 P | C(C(=O)O)N.... |
9 | 1X8R | Ki = 2.9 uM | SC1 | C10 H16 O13 P2 | C[C@](C(=O.... |
10 | 2QFT | Ki = 5.5 uM | S3P | C7 H11 O8 P | C1[C@H]([C.... |
11 | 1G6T | - | S3P | C7 H11 O8 P | C1[C@H]([C.... |
12 | 2QFQ | ic50 = 66 uM | S3P | C7 H11 O8 P | C1[C@H]([C.... |
13 | 2QFS | Ki = 5.5 uM | S3P | C7 H11 O8 P | C1[C@H]([C.... |
14 | 3FK0 | - | S3P | C7 H11 O8 P | C1[C@H]([C.... |
15 | 2PQ9 | Ki = 7.8 nM | GG9 | C10 H14 F2 O14 P2 | C1[C@H]([C.... |
16 | 2QFU | Ki = 66 uM | S3P | C7 H11 O8 P | C1[C@H]([C.... |
17 | 1Q36 | - | SKP | C10 H16 O14 P2 | C[C@](C(=O.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GPJ | 1.0000 |
2 | CCD | 0.9850 |
3 | 3S5 | 0.9810 |
4 | NM3 | 0.9794 |
5 | NM2 | 0.9789 |
6 | CCE | 0.9714 |
7 | SPV | 0.9705 |
8 | ACH | 0.9702 |
9 | AT3 | 0.9701 |
10 | CHH | 0.9684 |
11 | 3PG | 0.9673 |
12 | 4LR | 0.9660 |
13 | RTK | 0.9649 |
14 | IP8 | 0.9586 |
15 | OSE | 0.9585 |
16 | 1SA | 0.9584 |
17 | HG3 | 0.9571 |
18 | FOM | 0.9559 |
19 | PC | 0.9557 |
20 | 152 | 0.9556 |
21 | RUJ | 0.9538 |
22 | GUA | 0.9522 |
23 | NSB | 0.9503 |
24 | 1SH | 0.9502 |
25 | 13P | 0.9500 |
26 | PEP | 0.9483 |
27 | PPR | 0.9472 |
28 | HPV | 0.9471 |
29 | MSL | 0.9439 |
30 | PGH | 0.9430 |
31 | MZT | 0.9421 |
32 | G3H | 0.9421 |
33 | G3P | 0.9412 |
34 | OEG | 0.9410 |
35 | SEP | 0.9408 |
36 | LTL | 0.9405 |
37 | OGA | 0.9374 |
38 | 1GP | 0.9370 |
39 | GP9 | 0.9363 |
40 | UN1 | 0.9362 |
41 | AKG | 0.9347 |
42 | GLU | 0.9336 |
43 | 9GB | 0.9327 |
44 | 9X6 | 0.9325 |
45 | 0VT | 0.9313 |
46 | 2HG | 0.9294 |
47 | QFJ | 0.9284 |
48 | DHM | 0.9276 |
49 | URP | 0.9272 |
50 | PSE | 0.9266 |
51 | S2G | 0.9265 |
52 | B85 | 0.9264 |
53 | MHN | 0.9257 |
54 | CYX | 0.9256 |
55 | LUQ | 0.9249 |
56 | HBU | 0.9249 |
57 | TSU | 0.9244 |
58 | DGN | 0.9243 |
59 | N6C | 0.9243 |
60 | PGA | 0.9242 |
61 | 129 | 0.9240 |
62 | QMP | 0.9236 |
63 | TIH | 0.9236 |
64 | GZ3 | 0.9220 |
65 | NLP | 0.9218 |
66 | R67 | 0.9217 |
67 | HIS | 0.9212 |
68 | X1S | 0.9206 |
69 | E4P | 0.9206 |
70 | 2IT | 0.9202 |
71 | DGL | 0.9202 |
72 | ACA | 0.9191 |
73 | GLN | 0.9190 |
74 | HPN | 0.9188 |
75 | 7UC | 0.9187 |
76 | AG2 | 0.9180 |
77 | URO | 0.9178 |
78 | AMS | 0.9169 |
79 | SHV | 0.9168 |
80 | 1X4 | 0.9165 |
81 | HSO | 0.9158 |
82 | BHU | 0.9154 |
83 | GVM | 0.9143 |
84 | 7BC | 0.9139 |
85 | GGL | 0.9137 |
86 | VKC | 0.9137 |
87 | CCU | 0.9133 |
88 | LMR | 0.9131 |
89 | KMH | 0.9125 |
90 | HMS | 0.9122 |
91 | 3YP | 0.9111 |
92 | SAN | 0.9111 |
93 | 1HS | 0.9107 |
94 | 7OD | 0.9097 |
95 | SYC | 0.9094 |
96 | PLU | 0.9093 |
97 | SYM | 0.9087 |
98 | 4J8 | 0.9087 |
99 | PEQ | 0.9087 |
100 | LEU | 0.9086 |
101 | M45 | 0.9084 |
102 | SIN | 0.9083 |
103 | 8K2 | 0.9082 |
104 | HHI | 0.9079 |
105 | 4MV | 0.9077 |
106 | 11C | 0.9076 |
107 | Q02 | 0.9074 |
108 | 650 | 0.9070 |
109 | OAA | 0.9068 |
110 | 6NA | 0.9066 |
111 | ONL | 0.9064 |
112 | SHO | 0.9060 |
113 | OKG | 0.9058 |
114 | DAV | 0.9058 |
115 | DLY | 0.9057 |
116 | LYS | 0.9057 |
117 | S8V | 0.9052 |
118 | HIC | 0.9052 |
119 | PAH | 0.9051 |
120 | 0V5 | 0.9050 |
121 | ASP | 0.9049 |
122 | 3LR | 0.9043 |
123 | Q03 | 0.9043 |
124 | R9M | 0.9043 |
125 | 9ON | 0.9035 |
126 | HPS | 0.9035 |
127 | DAS | 0.9034 |
128 | MLT | 0.9033 |
129 | 7C3 | 0.9032 |
130 | KVP | 0.9024 |
131 | 8EW | 0.9022 |
132 | HFA | 0.9016 |
133 | HTX | 0.9015 |
134 | FBS | 0.9013 |
135 | 49F | 0.9006 |
136 | MHO | 0.9003 |
137 | DZA | 0.9001 |
138 | NFA | 0.9000 |
139 | MUC | 0.8993 |
140 | PO6 | 0.8990 |
141 | KPC | 0.8989 |
142 | PMF | 0.8985 |
143 | GLY GLY | 0.8982 |
144 | ASN | 0.8980 |
145 | 0L1 | 0.8979 |
146 | MAE | 0.8977 |
147 | 3HG | 0.8976 |
148 | DYT | 0.8976 |
149 | PG3 | 0.8972 |
150 | PHE | 0.8970 |
151 | GWM | 0.8966 |
152 | IVL | 0.8964 |
153 | F98 | 0.8963 |
154 | KPA | 0.8963 |
155 | ENV | 0.8959 |
156 | FUM | 0.8959 |
157 | Q9Z | 0.8954 |
158 | O45 | 0.8949 |
159 | MPH | 0.8946 |
160 | DHI | 0.8944 |
161 | PG0 | 0.8942 |
162 | DE5 | 0.8938 |
163 | 2JJ | 0.8934 |
164 | 2FT | 0.8932 |
165 | 2BX | 0.8927 |
166 | 3SL | 0.8920 |
167 | OPE | 0.8917 |
168 | J0Z | 0.8917 |
169 | SME | 0.8917 |
170 | HGA | 0.8911 |
171 | DLT | 0.8908 |
172 | 5XB | 0.8906 |
173 | AFS | 0.8905 |
174 | 3OL | 0.8904 |
175 | 3OM | 0.8904 |
176 | B3M | 0.8903 |
177 | ZGL | 0.8903 |
178 | RAT | 0.8902 |
179 | DAR | 0.8900 |
180 | 9YT | 0.8900 |
181 | PAC | 0.8899 |
182 | MES | 0.8899 |
183 | MEQ | 0.8893 |
184 | PMB | 0.8893 |
185 | A3M | 0.8892 |
186 | DIR | 0.8889 |
187 | ALA ALA | 0.8887 |
188 | ORN | 0.8887 |
189 | DAL DAL | 0.8882 |
190 | FK8 | 0.8882 |
191 | AHN | 0.8880 |
192 | 4SX | 0.8873 |
193 | 5XA | 0.8869 |
194 | HCI | 0.8868 |
195 | 9J3 | 0.8867 |
196 | TCA | 0.8859 |
197 | EHM | 0.8856 |
198 | NLE | 0.8855 |
199 | TIU | 0.8851 |
200 | AL0 | 0.8851 |
201 | LYN | 0.8851 |
202 | PIY | 0.8850 |
203 | OK7 | 0.8850 |
204 | PPY | 0.8850 |
205 | A20 | 0.8848 |
206 | IXW | 0.8848 |
207 | RP3 | 0.8848 |
208 | 16D | 0.8842 |
209 | PHU | 0.8840 |
210 | M4S | 0.8839 |
211 | 1DV | 0.8837 |
212 | URS | 0.8832 |
213 | KVV | 0.8830 |
214 | COI | 0.8826 |
215 | FCR | 0.8826 |
216 | GJZ | 0.8824 |
217 | OOG | 0.8824 |
218 | TEO | 0.8823 |
219 | M4T | 0.8821 |
220 | DEZ | 0.8821 |
221 | AAS | 0.8815 |
222 | J9N | 0.8813 |
223 | B40 | 0.8811 |
224 | PIM | 0.8805 |
225 | M3H | 0.8804 |
226 | 7A8 | 0.8804 |
227 | MF3 | 0.8800 |
228 | LLQ | 0.8797 |
229 | 98J | 0.8796 |
230 | K7M | 0.8795 |
231 | SD4 | 0.8795 |
232 | DER | 0.8794 |
233 | FB2 | 0.8793 |
234 | SG3 | 0.8790 |
235 | TYL | 0.8788 |
236 | BHH | 0.8786 |
237 | K34 | 0.8785 |
238 | BNF | 0.8782 |
239 | CXP | 0.8781 |
240 | 4JC | 0.8781 |
241 | DQY | 0.8778 |
242 | MET | 0.8778 |
243 | K6H | 0.8778 |
244 | LNO | 0.8769 |
245 | NYL | 0.8765 |
246 | 3QM | 0.8763 |
247 | Q07 | 0.8760 |
248 | 4TB | 0.8759 |
249 | DPN | 0.8749 |
250 | HX2 | 0.8743 |
251 | 258 | 0.8743 |
252 | LFC | 0.8741 |
253 | X0V | 0.8737 |
254 | QY9 | 0.8734 |
255 | ARG | 0.8728 |
256 | HL5 | 0.8727 |
257 | OTR | 0.8726 |
258 | R2P | 0.8724 |
259 | HX4 | 0.8723 |
260 | H95 | 0.8722 |
261 | MAH | 0.8718 |
262 | MAJ | 0.8716 |
263 | KMT | 0.8715 |
264 | 173 | 0.8713 |
265 | XIZ | 0.8712 |
266 | HDH | 0.8710 |
267 | K6V | 0.8700 |
268 | GOJ | 0.8699 |
269 | CPZ | 0.8698 |
270 | DHS | 0.8697 |
271 | FOC | 0.8695 |
272 | DS0 | 0.8692 |
273 | OCT | 0.8689 |
274 | TZF | 0.8687 |
275 | HF2 | 0.8687 |
276 | NF3 | 0.8686 |
277 | SOL | 0.8683 |
278 | BNL | 0.8680 |
279 | ISZ | 0.8680 |
280 | PBA | 0.8675 |
281 | AEG | 0.8675 |
282 | 4WL | 0.8674 |
283 | I38 | 0.8671 |
284 | TPO | 0.8671 |
285 | I4B | 0.8668 |
286 | GGB | 0.8667 |
287 | MSR | 0.8665 |
288 | TYE | 0.8665 |
289 | PRA | 0.8664 |
290 | MED | 0.8664 |
291 | PSJ | 0.8659 |
292 | EKZ | 0.8657 |
293 | CIR | 0.8655 |
294 | 1BN | 0.8653 |
295 | AOT | 0.8652 |
296 | KBZ | 0.8649 |
297 | 2CO | 0.8647 |
298 | AMH | 0.8647 |
299 | 4P5 | 0.8646 |
300 | CFI | 0.8645 |
301 | 1L5 | 0.8643 |
302 | SHF | 0.8641 |
303 | 36E | 0.8641 |
304 | 5DL | 0.8640 |
305 | O8Y | 0.8634 |
306 | TZP | 0.8632 |
307 | 1PS | 0.8625 |
308 | 5FX | 0.8623 |
309 | KTA | 0.8618 |
310 | SNU | 0.8617 |
311 | Q06 | 0.8616 |
312 | MTL | 0.8611 |
313 | SOR | 0.8611 |
314 | GVG | 0.8607 |
315 | DXP | 0.8606 |
316 | ILO | 0.8603 |
317 | 36Y | 0.8600 |
318 | EVF | 0.8594 |
319 | RMN | 0.8591 |
320 | L14 | 0.8591 |
321 | XRS | 0.8566 |
322 | 4FH | 0.8565 |
323 | N9J | 0.8563 |
324 | AZM | 0.8563 |
325 | NCT | 0.8556 |
326 | 2ZM | 0.8555 |
327 | HNK | 0.8542 |
328 | IFP | 0.8541 |
329 | HHH | 0.8528 |
330 | XRX | 0.8527 |
331 | IWT | 0.8516 |
332 | 40E | 0.8516 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | CSN | 0.9257 |
2 | G1P | 0.9152 |
3 | CRB | 0.9118 |
4 | MZM | 0.9117 |
5 | EYA | 0.9055 |
6 | EYM | 0.9054 |
7 | R8Y | 0.9050 |
8 | QMS | 0.9041 |
9 | 5OF | 0.9034 |
10 | 4XY | 0.9012 |
11 | T6Z | 0.9012 |
12 | NBG | 0.9010 |
13 | KFN | 0.9009 |
14 | LF5 | 0.8990 |
15 | VM1 | 0.8971 |
16 | NLA | 0.8934 |
17 | GL1 | 0.8929 |
18 | ISJ | 0.8921 |
19 | DNC | 0.8920 |
20 | FWB | 0.8916 |
21 | CR1 | 0.8909 |
22 | 1X8 | 0.8903 |
23 | OX2 | 0.8901 |
24 | KED | 0.8899 |
25 | EY7 | 0.8895 |
26 | U7E | 0.8877 |
27 | M3Q | 0.8872 |
28 | GN1 | 0.8871 |
29 | 1PL | 0.8870 |
30 | MUR | 0.8867 |
31 | MYI | 0.8865 |
32 | 7I2 | 0.8864 |
33 | I7A | 0.8863 |
34 | IPT | 0.8860 |
35 | 0GY | 0.8856 |
36 | R1P | 0.8835 |
37 | CG8 | 0.8833 |
38 | JAA | 0.8833 |
39 | 6DP | 0.8824 |
40 | LEL | 0.8817 |
41 | EWG | 0.8816 |
42 | M1P | 0.8802 |
43 | 7FF | 0.8801 |
44 | DG2 | 0.8795 |
45 | 5F5 | 0.8779 |
46 | 15A | 0.8777 |
47 | AZM | 0.8777 |
48 | MNP | 0.8772 |
49 | 772 | 0.8771 |
50 | MB1 | 0.8770 |
51 | OKM | 0.8768 |
52 | 790 | 0.8766 |
53 | 4AV | 0.8766 |
54 | NQM | 0.8766 |
55 | TQU | 0.8764 |
56 | A0O | 0.8764 |
57 | I7B | 0.8763 |
58 | ASG | 0.8758 |
59 | 7WR | 0.8758 |
60 | 512 | 0.8757 |
61 | BN1 | 0.8757 |
62 | 6R8 | 0.8754 |
63 | I4D | 0.8749 |
64 | 2UZ | 0.8749 |
65 | TWB | 0.8741 |
66 | AVA | 0.8740 |
67 | 2J9 | 0.8734 |
68 | KDO | 0.8734 |
69 | HLD | 0.8732 |
70 | 2VQ | 0.8725 |
71 | 5F8 | 0.8725 |
72 | ZON | 0.8723 |
73 | 982 | 0.8718 |
74 | HCA | 0.8711 |
75 | NPA | 0.8705 |
76 | PMV | 0.8704 |
77 | RD4 | 0.8703 |
78 | F1X | 0.8699 |
79 | 7ZC | 0.8696 |
80 | CE2 | 0.8694 |
81 | 8WZ | 0.8690 |
82 | HJ7 | 0.8681 |
83 | IOS | 0.8680 |
84 | LIP | 0.8680 |
85 | U1K | 0.8679 |
86 | EDM | 0.8679 |
87 | 8VE | 0.8679 |
88 | DNF | 0.8676 |
89 | GFP | 0.8674 |
90 | G01 | 0.8674 |
91 | TNF | 0.8673 |
92 | NLQ | 0.8671 |
93 | 5PX | 0.8668 |
94 | 2O6 | 0.8663 |
95 | 774 | 0.8658 |
96 | NLG | 0.8650 |
97 | BOQ | 0.8644 |
98 | SRO | 0.8644 |
99 | BB4 | 0.8643 |
100 | N8Q | 0.8642 |
101 | 4A5 | 0.8641 |
102 | PA5 | 0.8640 |
103 | KYA | 0.8637 |
104 | 0GZ | 0.8636 |
105 | FUJ | 0.8635 |
106 | 5FL | 0.8634 |
107 | OAI | 0.8634 |
108 | CPW | 0.8634 |
109 | JV4 | 0.8633 |
110 | JVA | 0.8630 |
111 | ALA GLU | 0.8623 |
112 | JR2 | 0.8620 |
113 | X6P | 0.8620 |
114 | TXW | 0.8610 |
115 | GPM | 0.8609 |
116 | IBM | 0.8608 |
117 | TA6 | 0.8602 |
118 | CIT | 0.8601 |
119 | 692 | 0.8596 |
120 | B4O | 0.8595 |
121 | 8GK | 0.8592 |
122 | W8G | 0.8592 |
123 | 2V0 | 0.8585 |
124 | GNL | 0.8583 |
125 | SG2 | 0.8580 |
126 | AVO | 0.8572 |
127 | 1X7 | 0.8563 |
128 | 2D3 | 0.8561 |
129 | BK9 | 0.8559 |
130 | MS0 | 0.8534 |
131 | TNL | 0.8533 |
This union binding pocket(no: 1) in the query (biounit: 2pq9.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |