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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 8 families. | |||||
1 | 4ZAW | - | 4LU | C22 H30 N4 O9 P | Cc1cc2c3c(.... |
2 | 6QLI | - | 4LR | C5 H11 O4 P | CC(=CCOP(=.... |
3 | 4ZAF | Kd = 12 uM | 4LR | C5 H11 O4 P | CC(=CCOP(=.... |
4 | 6QLL | - | 4LR | C5 H11 O4 P | CC(=CCOP(=.... |
5 | 3ZQU | - | FNR | C17 H23 N4 O9 P | Cc1cc2c(cc.... |
6 | 4ZAY | - | 4LS | C22 H31 N4 O9 P | Cc1cc2c(cc.... |
7 | 4ZAG | Kd = 12 uM | 4LR | C5 H11 O4 P | CC(=CCOP(=.... |
8 | 4ZAV | - | 4LS | C22 H31 N4 O9 P | Cc1cc2c(cc.... |
9 | 6QLK | - | 4LU | C22 H30 N4 O9 P | Cc1cc2c3c(.... |
10 | 4ZAX | - | 4LU | C22 H30 N4 O9 P | Cc1cc2c3c(.... |
11 | 6QLJ | - | 4LS | C22 H31 N4 O9 P | Cc1cc2c(cc.... |
12 | 4ZAL | Kd = 12 uM | 4LR | C5 H11 O4 P | CC(=CCOP(=.... |
13 | 6QLH | - | FNR | C17 H23 N4 O9 P | Cc1cc2c(cc.... |
14 | 4ZAN | Kd = 12 uM | 4LR | C5 H11 O4 P | CC(=CCOP(=.... |
15 | 6QLV | - | HZZ | C10 H19 O4 P | CC(=CCC/C(.... |
16 | 4ZAZ | - | 4LS | C22 H31 N4 O9 P | Cc1cc2c(cc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 4RHE | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
2 | 4ZAW | - | 4LU | C22 H30 N4 O9 P | Cc1cc2c3c(.... |
3 | 6QLI | - | 4LR | C5 H11 O4 P | CC(=CCOP(=.... |
4 | 4ZAF | Kd = 12 uM | 4LR | C5 H11 O4 P | CC(=CCOP(=.... |
5 | 6QLL | - | 4LR | C5 H11 O4 P | CC(=CCOP(=.... |
6 | 3ZQU | - | FNR | C17 H23 N4 O9 P | Cc1cc2c(cc.... |
7 | 4ZAY | - | 4LS | C22 H31 N4 O9 P | Cc1cc2c(cc.... |
8 | 4ZAG | Kd = 12 uM | 4LR | C5 H11 O4 P | CC(=CCOP(=.... |
9 | 4ZAV | - | 4LS | C22 H31 N4 O9 P | Cc1cc2c(cc.... |
10 | 6QLK | - | 4LU | C22 H30 N4 O9 P | Cc1cc2c3c(.... |
11 | 4ZAX | - | 4LU | C22 H30 N4 O9 P | Cc1cc2c3c(.... |
12 | 6QLJ | - | 4LS | C22 H31 N4 O9 P | Cc1cc2c(cc.... |
13 | 4ZAL | Kd = 12 uM | 4LR | C5 H11 O4 P | CC(=CCOP(=.... |
14 | 6QLH | - | FNR | C17 H23 N4 O9 P | Cc1cc2c(cc.... |
15 | 4ZAN | Kd = 12 uM | 4LR | C5 H11 O4 P | CC(=CCOP(=.... |
16 | 6QLV | - | HZZ | C10 H19 O4 P | CC(=CCC/C(.... |
17 | 4ZAZ | - | 4LS | C22 H31 N4 O9 P | Cc1cc2c(cc.... |
18 | 6QLG | - | DMA | C5 H12 O7 P2 | CC(=CCO[P@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | FMN | 1 | 1 |
2 | RBF | 0.75641 | 0.876712 |
3 | 9O9 | 0.574468 | 0.934211 |
4 | RS3 | 0.571429 | 0.831169 |
5 | FAD | 0.543307 | 0.876543 |
6 | FAS | 0.543307 | 0.876543 |
7 | FAE | 0.539062 | 0.865854 |
8 | UBG | 0.534351 | 0.888889 |
9 | 5DD | 0.475248 | 0.972603 |
10 | LFN | 0.475 | 0.643836 |
11 | C3F | 0.473684 | 0.74359 |
12 | CF4 | 0.463918 | 0.734177 |
13 | FAY | 0.446043 | 0.864198 |
14 | FNR | 0.444444 | 0.909091 |
15 | RFL | 0.442857 | 0.845238 |
16 | 4LS | 0.411215 | 0.875 |
17 | 1VY | 0.406593 | 0.769231 |
18 | DLZ | 0.404494 | 0.782051 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | IP8 | 0.9966 |
2 | CCD | 0.9904 |
3 | GPJ | 0.9888 |
4 | 3S5 | 0.9879 |
5 | RTK | 0.9857 |
6 | CHH | 0.9833 |
7 | AT3 | 0.9827 |
8 | ACH | 0.9719 |
9 | NM3 | 0.9715 |
10 | 13P | 0.9714 |
11 | CCE | 0.9682 |
12 | GPF | 0.9660 |
13 | 1SA | 0.9633 |
14 | LTL | 0.9610 |
15 | PC | 0.9607 |
16 | 1SH | 0.9590 |
17 | G3P | 0.9585 |
18 | DHM | 0.9573 |
19 | PEP | 0.9527 |
20 | G3H | 0.9516 |
21 | 3PG | 0.9508 |
22 | GUA | 0.9467 |
23 | 129 | 0.9449 |
24 | FOM | 0.9443 |
25 | 0VT | 0.9442 |
26 | PGH | 0.9442 |
27 | GP9 | 0.9432 |
28 | GVM | 0.9427 |
29 | HG3 | 0.9426 |
30 | CYX | 0.9425 |
31 | TSU | 0.9421 |
32 | E4P | 0.9416 |
33 | 8K2 | 0.9390 |
34 | SEP | 0.9386 |
35 | SAN | 0.9377 |
36 | PGA | 0.9374 |
37 | HPV | 0.9370 |
38 | 152 | 0.9364 |
39 | HBU | 0.9360 |
40 | URP | 0.9357 |
41 | GLU | 0.9329 |
42 | 3PP | 0.9318 |
43 | 4J8 | 0.9303 |
44 | MZT | 0.9292 |
45 | OEG | 0.9288 |
46 | 1GP | 0.9282 |
47 | QFJ | 0.9281 |
48 | AKG | 0.9281 |
49 | FCR | 0.9277 |
50 | MLT | 0.9258 |
51 | HMS | 0.9257 |
52 | MSL | 0.9256 |
53 | FBS | 0.9254 |
54 | X1S | 0.9254 |
55 | DGN | 0.9246 |
56 | FUM | 0.9227 |
57 | AMS | 0.9224 |
58 | KVP | 0.9206 |
59 | 1X4 | 0.9204 |
60 | 3YP | 0.9201 |
61 | 3HG | 0.9196 |
62 | NSB | 0.9194 |
63 | 2HG | 0.9193 |
64 | OGA | 0.9184 |
65 | GLN | 0.9183 |
66 | UN1 | 0.9181 |
67 | BHU | 0.9175 |
68 | OKG | 0.9175 |
69 | ASP | 0.9175 |
70 | GZ3 | 0.9172 |
71 | PPR | 0.9171 |
72 | LMR | 0.9164 |
73 | 7BC | 0.9162 |
74 | OPE | 0.9162 |
75 | CCU | 0.9160 |
76 | SIN | 0.9156 |
77 | PLU | 0.9155 |
78 | LEU | 0.9148 |
79 | PMB | 0.9144 |
80 | AG2 | 0.9142 |
81 | DGL | 0.9139 |
82 | 3SL | 0.9139 |
83 | MES | 0.9138 |
84 | S2G | 0.9133 |
85 | SHV | 0.9130 |
86 | OAA | 0.9130 |
87 | LUQ | 0.9127 |
88 | PEQ | 0.9124 |
89 | KMH | 0.9113 |
90 | 650 | 0.9111 |
91 | HPN | 0.9111 |
92 | 0V5 | 0.9105 |
93 | FB2 | 0.9105 |
94 | ONL | 0.9101 |
95 | 2IT | 0.9099 |
96 | GGL | 0.9097 |
97 | ACA | 0.9096 |
98 | 9YT | 0.9091 |
99 | 9ON | 0.9090 |
100 | R9M | 0.9089 |
101 | AAS | 0.9085 |
102 | KPC | 0.9080 |
103 | OSE | 0.9078 |
104 | QMP | 0.9078 |
105 | ZGL | 0.9077 |
106 | RUJ | 0.9075 |
107 | KVV | 0.9075 |
108 | 8EW | 0.9074 |
109 | 6NA | 0.9073 |
110 | MHN | 0.9073 |
111 | B85 | 0.9069 |
112 | URO | 0.9068 |
113 | COI | 0.9063 |
114 | TPO | 0.9061 |
115 | PSE | 0.9060 |
116 | 3LR | 0.9058 |
117 | DIR | 0.9055 |
118 | MEQ | 0.9053 |
119 | 4JC | 0.9053 |
120 | EOU | 0.9039 |
121 | HBD | 0.9039 |
122 | HIS | 0.9036 |
123 | HHI | 0.9036 |
124 | MAH | 0.9034 |
125 | X0V | 0.9034 |
126 | TIH | 0.9033 |
127 | S8V | 0.9032 |
128 | HGA | 0.9027 |
129 | 11C | 0.9022 |
130 | VKC | 0.9022 |
131 | TIU | 0.9022 |
132 | 7UC | 0.9021 |
133 | PG3 | 0.9015 |
134 | M4S | 0.9014 |
135 | N6C | 0.9014 |
136 | LLQ | 0.9010 |
137 | DQY | 0.9009 |
138 | 3OL | 0.9008 |
139 | 3OM | 0.9008 |
140 | SME | 0.9003 |
141 | HTX | 0.9002 |
142 | GWM | 0.8999 |
143 | 4SX | 0.8999 |
144 | 5XA | 0.8998 |
145 | HSO | 0.8993 |
146 | R67 | 0.8992 |
147 | NLE | 0.8988 |
148 | EKZ | 0.8984 |
149 | 0L1 | 0.8982 |
150 | NM2 | 0.8982 |
151 | SYC | 0.8979 |
152 | K6V | 0.8972 |
153 | Q9Z | 0.8969 |
154 | NLP | 0.8961 |
155 | 4FH | 0.8959 |
156 | HPS | 0.8956 |
157 | ALA ALA | 0.8952 |
158 | SHF | 0.8939 |
159 | FOC | 0.8938 |
160 | SPV | 0.8931 |
161 | GLY GLY | 0.8930 |
162 | DZA | 0.8925 |
163 | ORN | 0.8923 |
164 | H95 | 0.8921 |
165 | A20 | 0.8917 |
166 | DER | 0.8914 |
167 | HX2 | 0.8914 |
168 | SYM | 0.8905 |
169 | MPH | 0.8905 |
170 | ASN | 0.8905 |
171 | DAV | 0.8902 |
172 | 2JJ | 0.8896 |
173 | M45 | 0.8896 |
174 | FK8 | 0.8893 |
175 | 9J3 | 0.8892 |
176 | J0Z | 0.8889 |
177 | 7C3 | 0.8883 |
178 | SPA | 0.8882 |
179 | OK7 | 0.8881 |
180 | DE5 | 0.8880 |
181 | PAH | 0.8878 |
182 | ONH | 0.8877 |
183 | A09 | 0.8876 |
184 | PAC | 0.8871 |
185 | NNH | 0.8868 |
186 | 49F | 0.8868 |
187 | QY9 | 0.8867 |
188 | 173 | 0.8864 |
189 | 4MV | 0.8863 |
190 | PHU | 0.8855 |
191 | DLY | 0.8848 |
192 | K34 | 0.8848 |
193 | SHO | 0.8843 |
194 | 2FM | 0.8841 |
195 | AL0 | 0.8841 |
196 | TCA | 0.8841 |
197 | DAL DAL | 0.8837 |
198 | LYN | 0.8835 |
199 | BHH | 0.8834 |
200 | 16D | 0.8834 |
201 | DII | 0.8832 |
202 | PO6 | 0.8830 |
203 | HDH | 0.8828 |
204 | URS | 0.8827 |
205 | 2FT | 0.8826 |
206 | R2P | 0.8824 |
207 | LYS | 0.8823 |
208 | DHI | 0.8822 |
209 | XIZ | 0.8821 |
210 | MUC | 0.8820 |
211 | AHN | 0.8820 |
212 | MET | 0.8812 |
213 | KMT | 0.8811 |
214 | DYT | 0.8806 |
215 | MED | 0.8792 |
216 | ENV | 0.8788 |
217 | IXW | 0.8786 |
218 | SD4 | 0.8785 |
219 | MHO | 0.8785 |
220 | IZC | 0.8784 |
221 | 2BX | 0.8783 |
222 | OTR | 0.8783 |
223 | TEO | 0.8780 |
224 | RNT | 0.8780 |
225 | KBZ | 0.8778 |
226 | HCI | 0.8778 |
227 | PPY | 0.8775 |
228 | MF3 | 0.8774 |
229 | 5XB | 0.8774 |
230 | PG0 | 0.8773 |
231 | GJZ | 0.8771 |
232 | GOJ | 0.8764 |
233 | IVL | 0.8763 |
234 | CXP | 0.8762 |
235 | 2RH | 0.8753 |
236 | DEZ | 0.8744 |
237 | SSB | 0.8744 |
238 | NF3 | 0.8743 |
239 | I38 | 0.8743 |
240 | KTA | 0.8741 |
241 | HL5 | 0.8741 |
242 | PIM | 0.8741 |
243 | SOR | 0.8739 |
244 | HIC | 0.8733 |
245 | LNO | 0.8732 |
246 | 3QM | 0.8732 |
247 | 8GL | 0.8730 |
248 | J9N | 0.8726 |
249 | 2CO | 0.8724 |
250 | M6H | 0.8719 |
251 | DPN | 0.8718 |
252 | M3H | 0.8718 |
253 | RP3 | 0.8715 |
254 | MTL | 0.8715 |
255 | 4HP | 0.8710 |
256 | Q07 | 0.8703 |
257 | BNF | 0.8702 |
258 | LFC | 0.8693 |
259 | F98 | 0.8689 |
260 | DLT | 0.8683 |
261 | DAS | 0.8682 |
262 | RNS | 0.8681 |
263 | MSE | 0.8673 |
264 | PRA | 0.8664 |
265 | SOL | 0.8654 |
266 | I4B | 0.8651 |
267 | PBA | 0.8651 |
268 | OOG | 0.8650 |
269 | HF2 | 0.8639 |
270 | O45 | 0.8637 |
271 | HFA | 0.8631 |
272 | 1L5 | 0.8631 |
273 | 4TB | 0.8631 |
274 | DS0 | 0.8625 |
275 | PHE | 0.8620 |
276 | B40 | 0.8618 |
277 | PSJ | 0.8617 |
278 | DXP | 0.8616 |
279 | OCT | 0.8616 |
280 | HX4 | 0.8605 |
281 | AEG | 0.8600 |
282 | NFA | 0.8598 |
283 | M4T | 0.8596 |
284 | API | 0.8579 |
285 | EVF | 0.8551 |
286 | SHI | 0.8522 |
287 | 40E | 0.8520 |
This union binding pocket(no: 1) in the query (biounit: 4zal.bio1) has 90 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4zal.bio1) has 90 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4zal.bio1) has 90 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4zal.bio1) has 90 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 4zal.bio1) has 90 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 4zal.bio1) has 90 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 4zal.bio1) has 90 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 4zal.bio1) has 90 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 9) in the query (biounit: 4zal.bio1) has 90 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 10) in the query (biounit: 4zal.bio1) has 90 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 11) in the query (biounit: 4zal.bio1) has 90 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 12) in the query (biounit: 4zal.bio1) has 90 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 13) in the query (biounit: 4zal.bio1) has 90 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 14) in the query (biounit: 4zal.bio1) has 90 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 15) in the query (biounit: 4zal.bio1) has 90 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 16) in the query (biounit: 4zal.bio1) has 90 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 17) in the query (biounit: 4zal.bio1) has 90 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 18) in the query (biounit: 4zal.bio1) has 90 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 19) in the query (biounit: 4zal.bio1) has 90 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 20) in the query (biounit: 4zal.bio1) has 90 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 21) in the query (biounit: 4zal.bio1) has 90 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 22) in the query (biounit: 4zal.bio1) has 90 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 23) in the query (biounit: 4zal.bio1) has 90 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 24) in the query (biounit: 4zal.bio1) has 90 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |