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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 1331 families. | |||||
1 | 4PB2 | Kd = 16 uM | 5UD | C9 H11 F N2 O6 | C1=C(C(=O).... |
2 | 4PD6 | Kd = 36 uM | URI | C9 H12 N2 O6 | C1=CN(C(=O.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 4PB2 | Kd = 16 uM | 5UD | C9 H11 F N2 O6 | C1=C(C(=O).... |
2 | 4PD6 | Kd = 36 uM | URI | C9 H12 N2 O6 | C1=CN(C(=O.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 5UD | 1 | 1 |
2 | GPK | 0.9 | 0.953125 |
3 | DK4 | 0.732143 | 0.921875 |
4 | 5FU | 0.683333 | 0.859155 |
5 | GPQ | 0.59322 | 0.923077 |
6 | GPU | 0.57377 | 0.923077 |
7 | GP0 | 0.5625 | 0.897059 |
8 | D1M | 0.546875 | 0.863636 |
9 | URI | 0.5 | 0.920635 |
10 | D1J | 0.492958 | 0.814286 |
11 | F01 | 0.492063 | 0.925373 |
12 | ZEB | 0.483333 | 0.890625 |
13 | DHZ | 0.467742 | 0.890625 |
14 | CJB | 0.453125 | 0.875 |
15 | 5BU | 0.450704 | 0.833333 |
16 | BRD | 0.4375 | 0.84375 |
17 | 2TU | 0.4375 | 0.823529 |
18 | BUP | 0.435897 | 0.847222 |
19 | CNU | 0.432432 | 0.77027 |
20 | UFP | 0.430556 | 0.786667 |
21 | 5GW | 0.409639 | 0.783784 |
22 | CTD | 0.40625 | 0.859375 |
23 | URD | 0.40625 | 0.8125 |
24 | 5AE | 0.4 | 0.820895 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | CTN | 0.9817 |
2 | NOS | 0.9739 |
3 | THM | 0.9722 |
4 | FMC | 0.9693 |
5 | 5MD | 0.9657 |
6 | 0DN | 0.9613 |
7 | MCY | 0.9602 |
8 | B86 | 0.9588 |
9 | FMB | 0.9581 |
10 | 5BT | 0.9577 |
11 | RAB | 0.9539 |
12 | 5F1 | 0.9533 |
13 | ADN | 0.9530 |
14 | ARJ | 0.9517 |
15 | NOC | 0.9517 |
16 | ID2 | 0.9514 |
17 | GEO | 0.9510 |
18 | DUR | 0.9476 |
19 | 5FD | 0.9475 |
20 | PUR | 0.9475 |
21 | A | 0.9473 |
22 | TIZ | 0.9464 |
23 | 1DA | 0.9463 |
24 | MDR | 0.9460 |
25 | TBN | 0.9459 |
26 | TYU | 0.9458 |
27 | NWW | 0.9458 |
28 | 3D1 | 0.9457 |
29 | 5AD | 0.9453 |
30 | 5N5 | 0.9453 |
31 | 3BH | 0.9453 |
32 | THU | 0.9449 |
33 | UA2 | 0.9443 |
34 | Y3J | 0.9434 |
35 | TAL | 0.9426 |
36 | TMC | 0.9421 |
37 | IMH | 0.9420 |
38 | FM2 | 0.9408 |
39 | 9DI | 0.9406 |
40 | XYA | 0.9403 |
41 | 5CD | 0.9393 |
42 | RPP | 0.9388 |
43 | 3DT | 0.9387 |
44 | 6MD | 0.9387 |
45 | A4D | 0.9384 |
46 | PRH | 0.9382 |
47 | HPR | 0.9382 |
48 | 2FA | 0.9376 |
49 | FTU | 0.9375 |
50 | FM1 | 0.9368 |
51 | DCZ | 0.9359 |
52 | EKH | 0.9359 |
53 | 5ID | 0.9351 |
54 | GMP | 0.9338 |
55 | 6CR | 0.9333 |
56 | 5NB | 0.9321 |
57 | DNB | 0.9320 |
58 | AR3 | 0.9312 |
59 | IMG | 0.9310 |
60 | 8OX | 0.9310 |
61 | DDU | 0.9304 |
62 | AD3 | 0.9300 |
63 | H7S | 0.9300 |
64 | NQ7 | 0.9298 |
65 | CFE | 0.9295 |
66 | TIA | 0.9293 |
67 | DBM | 0.9290 |
68 | CL9 | 0.9286 |
69 | 3AD | 0.9281 |
70 | AHU | 0.9276 |
71 | NNR | 0.9275 |
72 | MTH | 0.9264 |
73 | MTA | 0.9262 |
74 | SCT | 0.9255 |
75 | I5A | 0.9249 |
76 | MTP | 0.9243 |
77 | 7D7 | 0.9218 |
78 | PIR | 0.9216 |
79 | NIR | 0.9210 |
80 | 5I5 | 0.9205 |
81 | DCF | 0.9205 |
82 | UUA | 0.9195 |
83 | 5BX | 0.9181 |
84 | RFZ | 0.9174 |
85 | 2FD | 0.9169 |
86 | MTI | 0.9164 |
87 | AFX | 0.9163 |
88 | MG7 | 0.9151 |
89 | 4UO | 0.9142 |
90 | GNG | 0.9136 |
91 | RBV | 0.9135 |
92 | MTM | 0.9127 |
93 | BVD | 0.9126 |
94 | CDY | 0.9123 |
95 | BP3 | 0.9120 |
96 | 3L1 | 0.9119 |
97 | NWQ | 0.9116 |
98 | MZR | 0.9114 |
99 | ANU | 0.9112 |
100 | JVQ | 0.9109 |
101 | AZZ | 0.9105 |
102 | H70 | 0.9079 |
103 | PBQ | 0.9077 |
104 | 8HG | 0.9063 |
105 | 9UL | 0.9060 |
106 | TRP | 0.9049 |
107 | ACE TRP | 0.9039 |
108 | WOE | 0.9038 |
109 | CC5 | 0.9033 |
110 | EXR | 0.9026 |
111 | 0GA | 0.9008 |
112 | 69K | 0.9004 |
113 | HBI | 0.8988 |
114 | LVY | 0.8984 |
115 | N8Z | 0.8974 |
116 | 26A | 0.8973 |
117 | 30G | 0.8973 |
118 | 5JT | 0.8972 |
119 | EP4 | 0.8968 |
120 | LLT | 0.8968 |
121 | A9K | 0.8966 |
122 | RVD | 0.8966 |
123 | 6HX | 0.8960 |
124 | U2Z | 0.8957 |
125 | TO1 | 0.8956 |
126 | X29 | 0.8946 |
127 | JA3 | 0.8945 |
128 | X11 | 0.8945 |
129 | ZIQ | 0.8944 |
130 | A4N | 0.8942 |
131 | MCF | 0.8942 |
132 | HO4 | 0.8939 |
133 | 7CI | 0.8938 |
134 | S0G | 0.8936 |
135 | GFE | 0.8927 |
136 | A4Q | 0.8921 |
137 | 2UD | 0.8911 |
138 | Z8B | 0.8911 |
139 | 3DH | 0.8909 |
140 | JF8 | 0.8909 |
141 | CJZ | 0.8905 |
142 | ZYW | 0.8900 |
143 | BP6 | 0.8886 |
144 | 6HO | 0.8886 |
145 | ZAS | 0.8883 |
146 | ZYV | 0.8880 |
147 | W29 | 0.8873 |
148 | TH4 | 0.8863 |
149 | Z15 | 0.8857 |
150 | QMR | 0.8854 |
151 | C0H | 0.8852 |
152 | DTR | 0.8850 |
153 | ITW | 0.8848 |
154 | RVB | 0.8848 |
155 | 3SU | 0.8845 |
156 | 0FR | 0.8844 |
157 | FWD | 0.8841 |
158 | XTS | 0.8841 |
159 | 38B | 0.8839 |
160 | FCW | 0.8834 |
161 | IA2 | 0.8834 |
162 | NIY | 0.8830 |
163 | U5P | 0.8830 |
164 | Z57 | 0.8826 |
165 | EF2 | 0.8824 |
166 | X2M | 0.8818 |
167 | DKX | 0.8815 |
168 | A7K | 0.8801 |
169 | DKZ | 0.8801 |
170 | CMU | 0.8800 |
171 | 2JM | 0.8799 |
172 | JGB | 0.8796 |
173 | CTE | 0.8796 |
174 | 6J3 | 0.8788 |
175 | SOV | 0.8787 |
176 | 89J | 0.8786 |
177 | 2K8 | 0.8782 |
178 | DAH | 0.8778 |
179 | KWB | 0.8778 |
180 | XYP XYP | 0.8778 |
181 | TCL | 0.8777 |
182 | HNK | 0.8777 |
183 | RVE | 0.8776 |
184 | BZM | 0.8776 |
185 | CWD | 0.8771 |
186 | UVC | 0.8771 |
187 | 1ZC | 0.8768 |
188 | BWD | 0.8761 |
189 | B21 | 0.8760 |
190 | FMQ | 0.8758 |
191 | AUT | 0.8758 |
192 | JMS | 0.8752 |
193 | 3Y7 | 0.8744 |
194 | 50C | 0.8743 |
195 | KYN | 0.8736 |
196 | RVC | 0.8736 |
197 | LDC | 0.8734 |
198 | Z16 | 0.8734 |
199 | DIF | 0.8731 |
200 | 78U | 0.8730 |
201 | GA2 | 0.8727 |
202 | MXD | 0.8726 |
203 | IWD | 0.8724 |
204 | 9CE | 0.8723 |
205 | JO5 | 0.8723 |
206 | HMD | 0.8721 |
207 | 4GU | 0.8721 |
208 | FB4 | 0.8716 |
209 | DTE | 0.8712 |
210 | 17C | 0.8709 |
211 | II4 | 0.8709 |
212 | ACK | 0.8707 |
213 | 6J9 | 0.8706 |
214 | Z2T | 0.8706 |
215 | SY4 | 0.8703 |
216 | 7QV | 0.8700 |
217 | KF5 | 0.8693 |
218 | VCE | 0.8692 |
219 | EAJ | 0.8691 |
220 | A4B | 0.8688 |
221 | M5H | 0.8684 |
222 | MMS | 0.8674 |
223 | I2E | 0.8673 |
224 | SQP | 0.8673 |
225 | 7R7 | 0.8671 |
226 | QQX | 0.8668 |
227 | BQ2 | 0.8667 |
228 | Z21 | 0.8665 |
229 | 3VW | 0.8664 |
230 | 43U | 0.8658 |
231 | JF1 | 0.8657 |
232 | HNL | 0.8655 |
233 | QQY | 0.8653 |
234 | MPK | 0.8651 |
235 | XYS XYP | 0.8651 |
236 | SV4 | 0.8650 |
237 | JRB | 0.8648 |
238 | NEU | 0.8641 |
239 | PQT | 0.8638 |
240 | SLY | 0.8637 |
241 | 5E4 | 0.8633 |
242 | VUP | 0.8632 |
243 | 43P | 0.8631 |
244 | BZQ | 0.8629 |
245 | C5P | 0.8627 |
246 | 92O | 0.8618 |
247 | SGV | 0.8616 |
248 | PE2 | 0.8616 |
249 | IM4 | 0.8615 |
250 | H2B | 0.8606 |
251 | DBQ | 0.8606 |
252 | 3D8 | 0.8602 |
253 | RIS | 0.8601 |
254 | 9PL | 0.8594 |
255 | IOS | 0.8591 |
256 | BY5 | 0.8590 |
257 | ENO | 0.8586 |
258 | TMP | 0.8582 |
259 | HNH | 0.8570 |
260 | 5S9 | 0.8570 |
261 | 7ZL | 0.8565 |
262 | 4AB | 0.8565 |
263 | ETV | 0.8563 |
264 | 1Z6 | 0.8562 |
265 | 4K2 | 0.8560 |
266 | CH | 0.8555 |
267 | XDN XYP | 0.8553 |
268 | XYP XDN | 0.8553 |
269 | KTJ | 0.8543 |
270 | X0T | 0.8538 |
271 | 3AK | 0.8534 |
272 | 0XR | 0.8530 |
273 | MFR | 0.8511 |
274 | 683 | 0.8507 |
This union binding pocket(no: 1) in the query (biounit: 4pb2.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4pb2.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4pb2.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |