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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 6 families. | |||||
1 | 1T0A | - | FPP | C15 H28 O7 P2 | CC(=CCC/C(.... |
2 | 4C8G | - | C5P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
3 | 4C8E | - | C5P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
4 | 3ERN | Kd = 18.91 mM | CAR | C9 H14 N3 O8 P | C1=CN(C(=O.... |
5 | 2GZL | Kd = 15 uM | 2AA | C23 H31 N5 O13 P2 S | CN(C)c1ccc.... |
6 | 3ELC | Kd = 2.02 mM | F01 | C9 H12 F N3 O5 | C1=C(C(=NC.... |
7 | 1JY8 | - | CDI | C5 H12 O9 P2 | C[C@@]1([C.... |
8 | 1GX1 | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
9 | 1U3L | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
10 | 1H47 | - | GPP | C10 H20 O7 P2 | CC(=CCC/C(.... |
11 | 1H48 | - | CDI | C5 H12 O9 P2 | C[C@@]1([C.... |
12 | 2AMT | Kd = 36 uM | 1AA | C18 H24 N4 O13 P2 | c1ccc(c(c1.... |
13 | 3IKE | - | CYT | C4 H5 N3 O | C1=C(NC(=O.... |
14 | 3IEQ | - | C | C9 H14 N3 O8 P | C1=CN(C(=O.... |
15 | 3IKF | - | 717 | C6 H6 N2 O S | c1csc2n1cc.... |
16 | 3JVH | - | HHV | C10 H11 N5 O | c1cc(cnc1).... |
17 | 3P10 | - | CTN | C9 H13 N3 O5 | C1=CN(C(=O.... |
18 | 3MBM | - | CYT | C4 H5 N3 O | C1=C(NC(=O.... |
19 | 3P0Z | - | CTN | C9 H13 N3 O5 | C1=CN(C(=O.... |
20 | 3K14 | - | 535 | C9 H10 N2 O2 S | CCOC(=O)c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 1T0A | - | FPP | C15 H28 O7 P2 | CC(=CCC/C(.... |
2 | 4C8I | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
3 | 4C8G | - | C5P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
4 | 4C8E | - | C5P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
5 | 3ERN | Kd = 18.91 mM | CAR | C9 H14 N3 O8 P | C1=CN(C(=O.... |
6 | 2GZL | Kd = 15 uM | 2AA | C23 H31 N5 O13 P2 S | CN(C)c1ccc.... |
7 | 3ELC | Kd = 2.02 mM | F01 | C9 H12 F N3 O5 | C1=C(C(=NC.... |
8 | 1JY8 | - | CDI | C5 H12 O9 P2 | C[C@@]1([C.... |
9 | 1GX1 | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
10 | 1U3L | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
11 | 1H47 | - | GPP | C10 H20 O7 P2 | CC(=CCC/C(.... |
12 | 1H48 | - | CDI | C5 H12 O9 P2 | C[C@@]1([C.... |
13 | 2AMT | Kd = 36 uM | 1AA | C18 H24 N4 O13 P2 | c1ccc(c(c1.... |
14 | 3IEW | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
15 | 3QHD | - | CTN | C9 H13 N3 O5 | C1=CN(C(=O.... |
16 | 3K2X | - | I5A | C9 H12 I N3 O4 | C1=CN(C(=O.... |
17 | 3F0G | - | C5P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
18 | 3IKE | - | CYT | C4 H5 N3 O | C1=C(NC(=O.... |
19 | 3IEQ | - | C | C9 H14 N3 O8 P | C1=CN(C(=O.... |
20 | 3IKF | - | 717 | C6 H6 N2 O S | c1csc2n1cc.... |
21 | 3JVH | - | HHV | C10 H11 N5 O | c1cc(cnc1).... |
22 | 3P10 | - | CTN | C9 H13 N3 O5 | C1=CN(C(=O.... |
23 | 3MBM | - | CYT | C4 H5 N3 O | C1=C(NC(=O.... |
24 | 3P0Z | - | CTN | C9 H13 N3 O5 | C1=CN(C(=O.... |
25 | 3K14 | - | 535 | C9 H10 N2 O2 S | CCOC(=O)c1.... |
26 | 1IV4 | - | C5P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
27 | 2PMP | - | C5P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
28 | 2UZH | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | HHV | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | A4V | 0.9657 |
2 | EMU | 0.9652 |
3 | H35 | 0.9591 |
4 | AEY | 0.9563 |
5 | RE4 | 0.9555 |
6 | 7VY | 0.9478 |
7 | 1ZC | 0.9467 |
8 | 12R | 0.9465 |
9 | AUY | 0.9461 |
10 | 0OO | 0.9451 |
11 | RK4 | 0.9441 |
12 | EXG | 0.9430 |
13 | FUZ | 0.9422 |
14 | QC1 | 0.9388 |
15 | V15 | 0.9355 |
16 | 531 | 0.9325 |
17 | HO6 | 0.9306 |
18 | ZEA | 0.9304 |
19 | CMG | 0.9302 |
20 | 8CV | 0.9299 |
21 | L12 | 0.9289 |
22 | 3AK | 0.9289 |
23 | S7V | 0.9278 |
24 | MJW | 0.9275 |
25 | ZEZ | 0.9263 |
26 | TZM | 0.9262 |
27 | AX4 | 0.9258 |
28 | 0OP | 0.9257 |
29 | CH8 | 0.9252 |
30 | 4RG | 0.9242 |
31 | 848 | 0.9239 |
32 | FPL | 0.9225 |
33 | ZIP | 0.9225 |
34 | MBP | 0.9223 |
35 | SCE | 0.9216 |
36 | VJJ | 0.9211 |
37 | 9E3 | 0.9203 |
38 | 9W5 | 0.9181 |
39 | N1Y | 0.9175 |
40 | IM4 | 0.9174 |
41 | L21 | 0.9166 |
42 | S0I | 0.9166 |
43 | GNW | 0.9158 |
44 | M02 | 0.9156 |
45 | MJ5 | 0.9154 |
46 | AX5 | 0.9149 |
47 | 5AV | 0.9148 |
48 | 50Q | 0.9146 |
49 | QTS | 0.9140 |
50 | 2J5 | 0.9140 |
51 | B4L | 0.9137 |
52 | 3IP | 0.9133 |
53 | E9P | 0.9130 |
54 | 6J5 | 0.9117 |
55 | AX8 | 0.9109 |
56 | RNK | 0.9105 |
57 | LI4 | 0.9105 |
58 | HVE | 0.9104 |
59 | CHQ | 0.9103 |
60 | M01 | 0.9101 |
61 | CUH | 0.9097 |
62 | UAY | 0.9091 |
63 | AJD | 0.9073 |
64 | 3B4 | 0.9071 |
65 | Q9P | 0.9068 |
66 | WA2 | 0.9066 |
67 | 4P8 | 0.9066 |
68 | AKD | 0.9066 |
69 | 54F | 0.9064 |
70 | 536 | 0.9061 |
71 | 0QV | 0.9061 |
72 | 4EU | 0.9056 |
73 | HLP | 0.9055 |
74 | RDY | 0.9054 |
75 | EVO | 0.9051 |
76 | 78P | 0.9043 |
77 | 3D8 | 0.9040 |
78 | NW1 | 0.9037 |
79 | ING | 0.9032 |
80 | UN4 | 0.9031 |
81 | KTM | 0.9031 |
82 | 11X | 0.9031 |
83 | GZV | 0.9028 |
84 | D8Y | 0.9028 |
85 | A51 | 0.9023 |
86 | JF5 | 0.9022 |
87 | 1YO | 0.9019 |
88 | CMU | 0.9018 |
89 | KWB | 0.9015 |
90 | TH4 | 0.9015 |
91 | NIY | 0.9013 |
92 | OA1 | 0.9012 |
93 | BC3 | 0.9011 |
94 | XQI | 0.8999 |
95 | 5E4 | 0.8999 |
96 | 8OB | 0.8998 |
97 | E9S | 0.8997 |
98 | Q5M | 0.8990 |
99 | 3Y7 | 0.8989 |
100 | G1N | 0.8983 |
101 | 8OE | 0.8981 |
102 | QTV | 0.8981 |
103 | WL3 | 0.8977 |
104 | YIP | 0.8977 |
105 | CQW | 0.8975 |
106 | WCU | 0.8973 |
107 | P2L | 0.8970 |
108 | C6Z | 0.8968 |
109 | 69K | 0.8966 |
110 | U8K | 0.8965 |
111 | ITW | 0.8952 |
112 | 1Q4 | 0.8949 |
113 | 5TO | 0.8947 |
114 | 4WF | 0.8944 |
115 | B5A | 0.8943 |
116 | IQP | 0.8928 |
117 | KTV | 0.8928 |
118 | LJ4 | 0.8926 |
119 | 7XX | 0.8924 |
120 | PUR | 0.8923 |
121 | 3IL | 0.8921 |
122 | ON1 | 0.8919 |
123 | A6H | 0.8919 |
124 | 4VT | 0.8917 |
125 | ADN | 0.8916 |
126 | BZQ | 0.8916 |
127 | 3IB | 0.8915 |
128 | 14W | 0.8913 |
129 | 27M | 0.8910 |
130 | PW1 | 0.8910 |
131 | 0OM | 0.8908 |
132 | MW5 | 0.8906 |
133 | 4GU | 0.8902 |
134 | AOY | 0.8896 |
135 | JBB | 0.8894 |
136 | B1T | 0.8892 |
137 | 1BY | 0.8889 |
138 | 6C5 | 0.8888 |
139 | NFZ | 0.8886 |
140 | HA6 | 0.8885 |
141 | 3EB | 0.8882 |
142 | OJD | 0.8881 |
143 | LJ1 | 0.8881 |
144 | H0V | 0.8880 |
145 | TOH | 0.8879 |
146 | C4E | 0.8876 |
147 | X2M | 0.8875 |
148 | TRP | 0.8873 |
149 | N2Y | 0.8868 |
150 | FY8 | 0.8865 |
151 | 25K | 0.8864 |
152 | TYP | 0.8862 |
153 | 56N | 0.8860 |
154 | DE7 | 0.8860 |
155 | NIP | 0.8859 |
156 | 7ZL | 0.8858 |
157 | LQG | 0.8858 |
158 | M5P | 0.8858 |
159 | 3QO | 0.8858 |
160 | P93 | 0.8857 |
161 | TOM | 0.8856 |
162 | BDJ | 0.8855 |
163 | 4OG | 0.8853 |
164 | YIH | 0.8852 |
165 | 0RY | 0.8851 |
166 | 3D3 | 0.8851 |
167 | IWH | 0.8848 |
168 | 5JT | 0.8847 |
169 | B23 | 0.8845 |
170 | EXL | 0.8841 |
171 | 7PJ | 0.8840 |
172 | 9BF | 0.8839 |
173 | ASE | 0.8838 |
174 | PZX | 0.8834 |
175 | 9F8 | 0.8833 |
176 | 7W7 | 0.8830 |
177 | FNA | 0.8829 |
178 | JA3 | 0.8829 |
179 | NFK | 0.8828 |
180 | TCW | 0.8826 |
181 | F0C | 0.8824 |
182 | LHY | 0.8824 |
183 | KYN | 0.8820 |
184 | GXD | 0.8820 |
185 | 96Z | 0.8819 |
186 | QME | 0.8815 |
187 | KUP | 0.8814 |
188 | B2K | 0.8812 |
189 | NPA | 0.8812 |
190 | 23N | 0.8810 |
191 | LL2 | 0.8805 |
192 | YE6 | 0.8802 |
193 | 6C9 | 0.8802 |
194 | 22F | 0.8801 |
195 | FYJ | 0.8797 |
196 | TBN | 0.8796 |
197 | B21 | 0.8794 |
198 | 4YE | 0.8794 |
199 | 6NZ | 0.8794 |
200 | 9VQ | 0.8793 |
201 | GXG | 0.8793 |
202 | 5WN | 0.8792 |
203 | F91 | 0.8791 |
204 | YOF | 0.8791 |
205 | 5VU | 0.8789 |
206 | 2VQ | 0.8786 |
207 | PLP | 0.8786 |
208 | D1Y | 0.8784 |
209 | PMP | 0.8783 |
210 | NKI | 0.8782 |
211 | MPP | 0.8782 |
212 | LVP | 0.8780 |
213 | CC5 | 0.8778 |
214 | J9Y | 0.8777 |
215 | TQ3 | 0.8777 |
216 | C4F | 0.8772 |
217 | TIA | 0.8771 |
218 | VXP | 0.8771 |
219 | 0XR | 0.8771 |
220 | 2LT | 0.8768 |
221 | JNW | 0.8764 |
222 | TCC | 0.8761 |
223 | HWH | 0.8759 |
224 | TCL | 0.8759 |
225 | DBS | 0.8758 |
226 | PLR | 0.8756 |
227 | 5WM | 0.8755 |
228 | IQU | 0.8753 |
229 | FB4 | 0.8752 |
230 | DCN | 0.8752 |
231 | QUB | 0.8750 |
232 | DMB | 0.8744 |
233 | FMB | 0.8741 |
234 | AHL | 0.8739 |
235 | LJ2 | 0.8739 |
236 | ZYV | 0.8739 |
237 | ONZ | 0.8737 |
238 | DTR | 0.8734 |
239 | MDR | 0.8734 |
240 | 43F | 0.8734 |
241 | JO8 | 0.8732 |
242 | OSB | 0.8729 |
243 | 4FP | 0.8724 |
244 | H4B | 0.8723 |
245 | EQA | 0.8720 |
246 | G6P | 0.8718 |
247 | BZS | 0.8717 |
248 | DX6 | 0.8716 |
249 | CX4 | 0.8715 |
250 | C0H | 0.8711 |
251 | GLY TYR | 0.8710 |
252 | ZYC | 0.8709 |
253 | 6Q3 | 0.8708 |
254 | FHV | 0.8707 |
255 | 4Z9 | 0.8705 |
256 | IOP | 0.8703 |
257 | F63 | 0.8702 |
258 | VJP | 0.8699 |
259 | XIF XYP | 0.8698 |
260 | RDV | 0.8697 |
261 | NAL | 0.8696 |
262 | DYZ | 0.8696 |
263 | BG6 | 0.8692 |
264 | JPQ | 0.8692 |
265 | 2UZ | 0.8690 |
266 | BIE | 0.8687 |
267 | LR2 | 0.8687 |
268 | BVB | 0.8684 |
269 | WLH | 0.8683 |
270 | QUG | 0.8681 |
271 | LI7 | 0.8679 |
272 | 2UD | 0.8678 |
273 | RE2 | 0.8672 |
274 | AC2 | 0.8671 |
275 | 7BX | 0.8670 |
276 | FC3 | 0.8670 |
277 | IYR | 0.8667 |
278 | XIL | 0.8666 |
279 | QD0 | 0.8666 |
280 | NOS | 0.8663 |
281 | AZY | 0.8662 |
282 | XYP XIF | 0.8661 |
283 | BZM | 0.8661 |
284 | MXD | 0.8660 |
285 | 5AD | 0.8659 |
286 | W1G | 0.8658 |
287 | FMC | 0.8658 |
288 | 9X3 | 0.8654 |
289 | PXP | 0.8654 |
290 | DNB | 0.8653 |
291 | 2GA | 0.8653 |
292 | GWD | 0.8648 |
293 | VXM | 0.8645 |
294 | M77 | 0.8644 |
295 | ALN | 0.8643 |
296 | RVE | 0.8640 |
297 | LLG | 0.8637 |
298 | P1Y | 0.8633 |
299 | J47 | 0.8631 |
300 | 3LJ | 0.8631 |
301 | NWL | 0.8630 |
302 | 8KW | 0.8624 |
303 | TPM | 0.8618 |
304 | PE2 | 0.8618 |
305 | 3M8 | 0.8617 |
306 | 8BD | 0.8617 |
307 | TZP | 0.8616 |
308 | FT2 | 0.8614 |
309 | 5C1 | 0.8613 |
310 | DAH | 0.8613 |
311 | 2L2 | 0.8612 |
312 | STL | 0.8611 |
313 | SB7 | 0.8609 |
314 | PLP PMP | 0.8608 |
315 | AOJ | 0.8608 |
316 | T07 | 0.8608 |
317 | S0F | 0.8608 |
318 | LTN | 0.8607 |
319 | FWD | 0.8606 |
320 | 2N0 | 0.8599 |
321 | XDL XYP | 0.8598 |
322 | 7WD | 0.8598 |
323 | PV4 | 0.8595 |
324 | 2L1 | 0.8593 |
325 | 5F1 | 0.8593 |
326 | 3N1 | 0.8592 |
327 | EQW | 0.8592 |
328 | TJM | 0.8590 |
329 | YUG | 0.8584 |
330 | G8V | 0.8580 |
331 | TMG | 0.8579 |
332 | 4R1 | 0.8574 |
333 | AYS | 0.8565 |
334 | GZ2 | 0.8563 |
335 | 1VQ | 0.8562 |
336 | 4YF | 0.8559 |
337 | JE7 | 0.8557 |
338 | FCW | 0.8549 |
339 | IMH | 0.8530 |
340 | GO8 | 0.8518 |
341 | 2JX | 0.8518 |
This union binding pocket(no: 1) in the query (biounit: 3jvh.bio1) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3jvh.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 3jvh.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |