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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 24 families. | |||||
1 | 6VSF | Kd = 2.7 mM | RKY | C13 H14 O5 | c1cc2c(cc1.... |
2 | 6VS6 | - | RKV | C9 H8 N2 O3 | Cn1c(cc(n1.... |
3 | 6NNE | Kd = 2.2 uM | KUP | C13 H16 N4 O2 | COc1ccc(cc.... |
4 | 6VV7 | Kd = 34 uM | RPM | C22 H21 N3 O3 | Cc1ccc2c(c.... |
5 | 6VS9 | Kd = 3.2 mM | RK4 | C13 H17 N O2 | c1cc(cc(c1.... |
6 | 6NNH | - | 1CY | C11 H14 Cl N5 | CC1(N=C(N=.... |
7 | 6VVB | Kd = 0.095 mM | RQ4 | C17 H11 F3 N2 O2 S | Cc1c(cc(c(.... |
8 | 2CIG | Ki = 1 nM | 1DG | C27 H33 N8 O18 P3 | c1cnccc1C(.... |
9 | 1DG8 | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
10 | 6VSE | Kd = 0.5 mM | 4RG | C14 H12 O3 | c1ccc(cc1).... |
11 | 6NND | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
12 | 6NNI | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
13 | 1DG5 | Ki = 88 uM | TOP | C14 H18 N4 O3 | COc1cc(cc(.... |
14 | 6VS5 | Kd = 641 uM | 9FH | C11 H10 N2 O2 | Cc1c(cnn1c.... |
15 | 6VSG | - | X0V | C7 H7 F3 N2 | c1cc(c(cc1.... |
16 | 6VS8 | - | RJY | C7 H9 N O2 S | CCOC(=O)c1.... |
17 | 6NNC | - | LYA | C20 H21 N5 O6 | c1cc(ccc1C.... |
18 | 6VSD | Kd = 0.75 mM | JBB | C12 H10 O2 S2 | c1cc(cc(c1.... |
19 | 6VV6 | Kd = 192 uM | RPJ | C21 H18 F N3 O3 | c1ccc2c(c1.... |
20 | 1DF7 | Ki = 11 nM | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
21 | 5JA3 | ic50 = 173 nM | U06 | C23 H22 N4 O3 | CCc1c(c(nc.... |
22 | 1DG7 | Ki = 187 nM | WRB | C14 H20 Br N5 O2 | CC1(N=C(N=.... |
23 | 6VV9 | - | RQ1 | C22 H21 N3 O3 | c1ccc(cc1).... |
24 | 4KL9 | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
25 | 4KNE | Kd = 1.26 uM | 1CY | C11 H14 Cl N5 | CC1(N=C(N=.... |
26 | 4KM2 | Kd = 1.43 uM | TOP | C14 H18 N4 O3 | COc1cc(cc(.... |
27 | 4KLX | - | ATR | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
28 | 4KM0 | Kd = 0.91 uM | CP6 | C12 H13 Cl N4 | CCc1c(c(nc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 15 families. | |||||
1 | 6VSF | Kd = 2.7 mM | RKY | C13 H14 O5 | c1cc2c(cc1.... |
2 | 6VS6 | - | RKV | C9 H8 N2 O3 | Cn1c(cc(n1.... |
3 | 6NNE | Kd = 2.2 uM | KUP | C13 H16 N4 O2 | COc1ccc(cc.... |
4 | 6VV7 | Kd = 34 uM | RPM | C22 H21 N3 O3 | Cc1ccc2c(c.... |
5 | 6VS9 | Kd = 3.2 mM | RK4 | C13 H17 N O2 | c1cc(cc(c1.... |
6 | 6NNH | - | 1CY | C11 H14 Cl N5 | CC1(N=C(N=.... |
7 | 6VVB | Kd = 0.095 mM | RQ4 | C17 H11 F3 N2 O2 S | Cc1c(cc(c(.... |
8 | 2CIG | Ki = 1 nM | 1DG | C27 H33 N8 O18 P3 | c1cnccc1C(.... |
9 | 1DG8 | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
10 | 6VSE | Kd = 0.5 mM | 4RG | C14 H12 O3 | c1ccc(cc1).... |
11 | 6NND | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
12 | 6NNI | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
13 | 1DG5 | Ki = 88 uM | TOP | C14 H18 N4 O3 | COc1cc(cc(.... |
14 | 6VS5 | Kd = 641 uM | 9FH | C11 H10 N2 O2 | Cc1c(cnn1c.... |
15 | 6VSG | - | X0V | C7 H7 F3 N2 | c1cc(c(cc1.... |
16 | 6VS8 | - | RJY | C7 H9 N O2 S | CCOC(=O)c1.... |
17 | 6NNC | - | LYA | C20 H21 N5 O6 | c1cc(ccc1C.... |
18 | 6VSD | Kd = 0.75 mM | JBB | C12 H10 O2 S2 | c1cc(cc(c1.... |
19 | 6VV6 | Kd = 192 uM | RPJ | C21 H18 F N3 O3 | c1ccc2c(c1.... |
20 | 1DF7 | Ki = 11 nM | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
21 | 5JA3 | ic50 = 173 nM | U06 | C23 H22 N4 O3 | CCc1c(c(nc.... |
22 | 1DG7 | Ki = 187 nM | WRB | C14 H20 Br N5 O2 | CC1(N=C(N=.... |
23 | 6VV9 | - | RQ1 | C22 H21 N3 O3 | c1ccc(cc1).... |
24 | 4KL9 | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
25 | 4KNE | Kd = 1.26 uM | 1CY | C11 H14 Cl N5 | CC1(N=C(N=.... |
26 | 4KM2 | Kd = 1.43 uM | TOP | C14 H18 N4 O3 | COc1cc(cc(.... |
27 | 4KLX | - | ATR | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
28 | 4KM0 | Kd = 0.91 uM | CP6 | C12 H13 Cl N4 | CCc1c(c(nc.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ATR | 1 | 1 |
2 | A2P | 0.835616 | 0.985294 |
3 | A2R | 0.825 | 0.957747 |
4 | A22 | 0.814815 | 0.957747 |
5 | NA7 | 0.776471 | 0.931507 |
6 | 2AM | 0.739726 | 0.971014 |
7 | 25L | 0.711111 | 0.957747 |
8 | ADP | 0.708861 | 0.971429 |
9 | PAP | 0.707317 | 0.985507 |
10 | 2A5 | 0.695122 | 0.917808 |
11 | 25A | 0.681818 | 0.943662 |
12 | 7D3 | 0.6625 | 0.90411 |
13 | ODP | 0.644231 | 0.883117 |
14 | HEJ | 0.642857 | 0.971429 |
15 | ATP | 0.642857 | 0.971429 |
16 | NPW | 0.640777 | 0.860759 |
17 | NDP | 0.640777 | 0.894737 |
18 | AQP | 0.635294 | 0.971429 |
19 | 5FA | 0.635294 | 0.971429 |
20 | TXP | 0.634615 | 0.894737 |
21 | NZQ | 0.634615 | 0.883117 |
22 | A2D | 0.62963 | 0.943662 |
23 | NJP | 0.628571 | 0.918919 |
24 | AP5 | 0.626506 | 0.943662 |
25 | B4P | 0.626506 | 0.943662 |
26 | OVE | 0.625 | 0.930556 |
27 | XNP | 0.622642 | 0.871795 |
28 | AN2 | 0.619048 | 0.957747 |
29 | BA3 | 0.614458 | 0.943662 |
30 | 7D4 | 0.611765 | 0.90411 |
31 | AGS | 0.609195 | 0.918919 |
32 | PO4 PO4 A A A A PO4 | 0.606383 | 0.928571 |
33 | AT4 | 0.6 | 0.931507 |
34 | AV2 | 0.6 | 0.943662 |
35 | ACQ | 0.595506 | 0.944444 |
36 | V3L | 0.595506 | 0.943662 |
37 | A3P | 0.595238 | 0.971014 |
38 | 6YZ | 0.593407 | 0.944444 |
39 | M33 | 0.593023 | 0.930556 |
40 | NAP | 0.59292 | 0.917808 |
41 | TAP | 0.587719 | 0.881579 |
42 | HQG | 0.586957 | 0.957747 |
43 | CUU | 0.586207 | 0.971429 |
44 | ACP | 0.586207 | 0.944444 |
45 | NA0 | 0.582609 | 0.905405 |
46 | 7L1 | 0.582609 | 0.772727 |
47 | 3AM | 0.580247 | 0.928571 |
48 | AR6 | 0.579545 | 0.943662 |
49 | APR | 0.579545 | 0.943662 |
50 | ANP | 0.577778 | 0.944444 |
51 | DG1 | 0.573913 | 0.894737 |
52 | 1DG | 0.573913 | 0.894737 |
53 | A | 0.573171 | 0.942857 |
54 | AMP | 0.573171 | 0.942857 |
55 | AD9 | 0.573034 | 0.944444 |
56 | PPS | 0.571429 | 0.871795 |
57 | ADQ | 0.568421 | 0.917808 |
58 | DAT | 0.568182 | 0.930556 |
59 | T99 | 0.56044 | 0.931507 |
60 | TAT | 0.56044 | 0.931507 |
61 | ADX | 0.556818 | 0.848101 |
62 | CA0 | 0.556818 | 0.917808 |
63 | 7D5 | 0.555556 | 0.876712 |
64 | KG4 | 0.550562 | 0.917808 |
65 | 50T | 0.550562 | 0.930556 |
66 | ATF | 0.548387 | 0.931507 |
67 | AMP MG | 0.547619 | 0.901408 |
68 | CO7 | 0.544715 | 0.781609 |
69 | APC | 0.544444 | 0.931507 |
70 | PRX | 0.544444 | 0.866667 |
71 | 3AT | 0.543478 | 0.971429 |
72 | 9X8 | 0.540816 | 0.893333 |
73 | OAD | 0.540816 | 0.917808 |
74 | ENP | 0.540816 | 0.891892 |
75 | 45A | 0.534884 | 0.890411 |
76 | ABM | 0.534884 | 0.890411 |
77 | BIS | 0.53 | 0.906667 |
78 | SRA | 0.529412 | 0.891892 |
79 | KMQ | 0.529412 | 0.905405 |
80 | ADP BEF | 0.52809 | 0.915493 |
81 | ADP MG | 0.52809 | 0.915493 |
82 | DTP | 0.526882 | 0.930556 |
83 | A12 | 0.522727 | 0.931507 |
84 | AP2 | 0.522727 | 0.931507 |
85 | 5AL | 0.521277 | 0.90411 |
86 | 8LE | 0.521277 | 0.868421 |
87 | A1R | 0.520408 | 0.881579 |
88 | A3R | 0.520408 | 0.881579 |
89 | JNT | 0.515152 | 0.917808 |
90 | 00A | 0.515152 | 0.857143 |
91 | 3OD | 0.514852 | 0.917808 |
92 | 8LH | 0.510417 | 0.88 |
93 | SRP | 0.510417 | 0.88 |
94 | OZV | 0.510204 | 0.943662 |
95 | 5SV | 0.510204 | 0.822785 |
96 | 0WD | 0.508772 | 0.894737 |
97 | NMN AMP PO4 | 0.508772 | 0.844156 |
98 | AU1 | 0.505495 | 0.944444 |
99 | ATP MG | 0.505376 | 0.915493 |
100 | APC MG | 0.505376 | 0.890411 |
101 | ADP PO3 | 0.505376 | 0.915493 |
102 | ADN | 0.5 | 0.816901 |
103 | 8LQ | 0.5 | 0.88 |
104 | QA7 | 0.5 | 0.868421 |
105 | RAB | 0.5 | 0.816901 |
106 | BEF ADP | 0.5 | 0.890411 |
107 | XYA | 0.5 | 0.816901 |
108 | AR6 AR6 | 0.495327 | 0.890411 |
109 | ADP BMA | 0.49505 | 0.891892 |
110 | OOB | 0.494949 | 0.90411 |
111 | 8QN | 0.494949 | 0.90411 |
112 | DDS | 0.494737 | 0.902778 |
113 | PAJ | 0.49 | 0.858974 |
114 | AMO | 0.49 | 0.905405 |
115 | 4AD | 0.49 | 0.893333 |
116 | RBY | 0.489362 | 0.905405 |
117 | ADV | 0.489362 | 0.905405 |
118 | OMR | 0.486486 | 0.82716 |
119 | 12D | 0.486239 | 0.804878 |
120 | PTJ | 0.485437 | 0.87013 |
121 | FYA | 0.485437 | 0.878378 |
122 | 1ZZ | 0.485437 | 0.814815 |
123 | AHX | 0.485149 | 0.87013 |
124 | DLL | 0.485149 | 0.90411 |
125 | MAP | 0.484848 | 0.918919 |
126 | VO4 ADP | 0.484536 | 0.917808 |
127 | ALF ADP | 0.484536 | 0.844156 |
128 | ANP MG | 0.484536 | 0.90411 |
129 | N01 | 0.483051 | 0.878378 |
130 | LMS | 0.482759 | 0.802469 |
131 | UPA | 0.482143 | 0.881579 |
132 | AFH | 0.481481 | 0.858974 |
133 | G5P | 0.481481 | 0.894737 |
134 | 3UK | 0.480392 | 0.891892 |
135 | GAP | 0.479167 | 0.866667 |
136 | SON | 0.478261 | 0.905405 |
137 | NAI | 0.477477 | 0.881579 |
138 | 128 | 0.477477 | 0.795181 |
139 | UP5 | 0.477477 | 0.893333 |
140 | NAX | 0.477477 | 0.848101 |
141 | 9SN | 0.47619 | 0.846154 |
142 | B5V | 0.475728 | 0.88 |
143 | LAD | 0.475728 | 0.835443 |
144 | PR8 | 0.475728 | 0.825 |
145 | WAQ | 0.475728 | 0.857143 |
146 | 6AD | 0.474227 | 0.883117 |
147 | V2G | 0.474227 | 0.87013 |
148 | 9BG | 0.474138 | 0.894737 |
149 | ITT | 0.473118 | 0.915493 |
150 | G3A | 0.472222 | 0.894737 |
151 | NB8 | 0.471154 | 0.87013 |
152 | TXA | 0.471154 | 0.905405 |
153 | ME8 | 0.471154 | 0.814815 |
154 | AP0 | 0.469027 | 0.87013 |
155 | 48N | 0.468468 | 0.87013 |
156 | 7D7 | 0.468354 | 0.739726 |
157 | LQJ | 0.46729 | 0.916667 |
158 | NDO | 0.467213 | 0.891892 |
159 | ETB | 0.466667 | 0.809524 |
160 | DCA | 0.466667 | 0.8 |
161 | APU | 0.464912 | 0.893333 |
162 | 6V0 | 0.464286 | 0.87013 |
163 | TXD | 0.464286 | 0.881579 |
164 | DQV | 0.463636 | 0.930556 |
165 | GTA | 0.463636 | 0.860759 |
166 | 101 | 0.460674 | 0.876712 |
167 | TXE | 0.460177 | 0.881579 |
168 | 0T1 | 0.459016 | 0.8 |
169 | COA | 0.459016 | 0.8 |
170 | B5Y | 0.457944 | 0.868421 |
171 | ATP A | 0.457944 | 0.902778 |
172 | B5M | 0.457944 | 0.868421 |
173 | ATP A A A | 0.457944 | 0.902778 |
174 | FA5 | 0.457944 | 0.88 |
175 | 139 | 0.456897 | 0.848101 |
176 | 4TC | 0.45614 | 0.87013 |
177 | D5M | 0.455556 | 0.902778 |
178 | DA | 0.455556 | 0.902778 |
179 | GGZ | 0.455446 | 0.846154 |
180 | DAL AMP | 0.455446 | 0.878378 |
181 | XAH | 0.453704 | 0.814815 |
182 | HFD | 0.453608 | 0.918919 |
183 | JSQ | 0.453608 | 0.918919 |
184 | A4P | 0.452174 | 0.819277 |
185 | 5AS | 0.451613 | 0.755814 |
186 | DND | 0.451327 | 0.905405 |
187 | 5N5 | 0.451219 | 0.791667 |
188 | 9ZA | 0.45098 | 0.881579 |
189 | 9ZD | 0.45098 | 0.881579 |
190 | PUA | 0.45082 | 0.883117 |
191 | 4UV | 0.449541 | 0.868421 |
192 | F2R | 0.449153 | 0.839506 |
193 | 30N | 0.448 | 0.731183 |
194 | CAO | 0.448 | 0.772727 |
195 | COS | 0.448 | 0.781609 |
196 | AMX | 0.448 | 0.809524 |
197 | J4G | 0.447619 | 0.893333 |
198 | 7DD | 0.446809 | 0.957143 |
199 | LAQ | 0.446429 | 0.814815 |
200 | NDP DTT | 0.446154 | 0.795181 |
201 | 5CD | 0.445783 | 0.777778 |
202 | A4D | 0.445783 | 0.791667 |
203 | NO7 | 0.445545 | 0.905405 |
204 | COD | 0.445378 | 0.788235 |
205 | T5A | 0.444444 | 0.817073 |
206 | ADJ | 0.444444 | 0.82716 |
207 | CMX | 0.444444 | 0.8 |
208 | SCO | 0.444444 | 0.8 |
209 | L3W | 0.443478 | 0.905405 |
210 | NVA 2AD | 0.443299 | 0.734177 |
211 | CA6 | 0.44186 | 0.708333 |
212 | GA7 | 0.441441 | 0.88 |
213 | 4UU | 0.441441 | 0.868421 |
214 | FCX | 0.440945 | 0.772727 |
215 | ACO | 0.440945 | 0.772727 |
216 | FAM | 0.440945 | 0.781609 |
217 | HDV | 0.44 | 0.917808 |
218 | A3G | 0.43956 | 0.773333 |
219 | AOC | 0.43956 | 0.794521 |
220 | APX | 0.439252 | 0.881579 |
221 | MYR AMP | 0.439252 | 0.792683 |
222 | 4UW | 0.438596 | 0.835443 |
223 | NMX | 0.438462 | 0.73913 |
224 | 80F | 0.438017 | 0.817073 |
225 | HAX | 0.4375 | 0.781609 |
226 | 2VA | 0.4375 | 0.773333 |
227 | TYM | 0.434783 | 0.88 |
228 | FYN | 0.434109 | 0.8 |
229 | 3KK | 0.434109 | 0.781609 |
230 | NAD | 0.433333 | 0.90411 |
231 | KGJ | 0.431818 | 0.731183 |
232 | IVC | 0.431818 | 0.790698 |
233 | OXK | 0.430769 | 0.781609 |
234 | KGP | 0.430769 | 0.708333 |
235 | MCD | 0.430769 | 0.781609 |
236 | YZS | 0.430769 | 0.708333 |
237 | SOP | 0.430769 | 0.781609 |
238 | COK | 0.430769 | 0.781609 |
239 | EP4 | 0.430233 | 0.727273 |
240 | DZ4 | 0.43 | 0.905405 |
241 | JB6 | 0.429907 | 0.857143 |
242 | YLP | 0.429825 | 0.795181 |
243 | 38V | 0.428571 | 0.860759 |
244 | 6RE | 0.428571 | 0.734177 |
245 | CNA | 0.428571 | 0.905405 |
246 | NWW | 0.428571 | 0.757143 |
247 | CMC | 0.427481 | 0.781609 |
248 | CO6 | 0.427481 | 0.781609 |
249 | 1VU | 0.427481 | 0.772727 |
250 | A3D | 0.42623 | 0.891892 |
251 | TM1 | 0.425926 | 0.792683 |
252 | MC4 | 0.425373 | 0.73913 |
253 | DTA | 0.425287 | 0.76 |
254 | M2T | 0.425287 | 0.708861 |
255 | J7V | 0.425197 | 0.809524 |
256 | G5A | 0.424242 | 0.755814 |
257 | SCD | 0.424242 | 0.8 |
258 | CAJ | 0.424242 | 0.781609 |
259 | 2MC | 0.424242 | 0.747253 |
260 | SO8 | 0.424242 | 0.763158 |
261 | VRT | 0.424242 | 0.74359 |
262 | H1Q | 0.42268 | 0.876712 |
263 | 5X8 | 0.42268 | 0.736842 |
264 | ALF ADP 3PG | 0.422414 | 0.8125 |
265 | KGA | 0.422222 | 0.723404 |
266 | CA8 | 0.422222 | 0.708333 |
267 | KFV | 0.422222 | 0.715789 |
268 | 3HC | 0.421053 | 0.790698 |
269 | BCO | 0.421053 | 0.781609 |
270 | A1S | 0.421053 | 0.781609 |
271 | MLC | 0.421053 | 0.781609 |
272 | 1HE | 0.421053 | 0.764045 |
273 | MTA | 0.420455 | 0.746667 |
274 | KL2 | 0.420455 | 0.861111 |
275 | 5AD | 0.419753 | 0.742857 |
276 | AS | 0.419355 | 0.855263 |
277 | YLB | 0.418803 | 0.795181 |
278 | YLC | 0.418803 | 0.814815 |
279 | MCA | 0.41791 | 0.772727 |
280 | CAA | 0.41791 | 0.790698 |
281 | SO5 | 0.41791 | 0.701031 |
282 | COO | 0.41791 | 0.781609 |
283 | YE1 | 0.41791 | 0.790698 |
284 | LCV | 0.41791 | 0.701031 |
285 | ACK | 0.417582 | 0.885714 |
286 | ZAS | 0.417582 | 0.74026 |
287 | QQY | 0.417582 | 0.837838 |
288 | 103 | 0.417582 | 0.835616 |
289 | Y3J | 0.416667 | 0.722222 |
290 | A3S | 0.416667 | 0.783784 |
291 | 7MD | 0.415929 | 0.8375 |
292 | ARG AMP | 0.415929 | 0.804878 |
293 | 2CP | 0.414815 | 0.772727 |
294 | YXR | 0.414815 | 0.708333 |
295 | YXS | 0.414815 | 0.708333 |
296 | SCA | 0.414815 | 0.781609 |
297 | ZDA | 0.414141 | 0.863014 |
298 | TSB | 0.413462 | 0.795181 |
299 | NAE | 0.412698 | 0.868421 |
300 | 1GZ | 0.411765 | 0.772727 |
301 | IOT | 0.411765 | 0.807229 |
302 | BYC | 0.411765 | 0.781609 |
303 | COW | 0.411765 | 0.772727 |
304 | 3CP | 0.411765 | 0.781609 |
305 | A5A | 0.411765 | 0.783133 |
306 | IRC | 0.411765 | 0.790698 |
307 | HGG | 0.411765 | 0.781609 |
308 | 2KQ | 0.411765 | 0.764045 |
309 | 3AD | 0.411765 | 0.802817 |
310 | COF | 0.411765 | 0.764045 |
311 | 3DH | 0.411111 | 0.746667 |
312 | EAD | 0.410853 | 0.848101 |
313 | AMP DBH | 0.410714 | 0.866667 |
314 | 1CZ | 0.410072 | 0.772727 |
315 | CO8 | 0.410072 | 0.764045 |
316 | S0N | 0.410072 | 0.781609 |
317 | BTX | 0.409836 | 0.817073 |
318 | NAQ | 0.409449 | 0.846154 |
319 | 4CA | 0.408759 | 0.772727 |
320 | BCA | 0.408759 | 0.772727 |
321 | FAQ | 0.408759 | 0.781609 |
322 | AHZ | 0.408696 | 0.792683 |
323 | NEC | 0.408602 | 0.743243 |
324 | NHM | 0.408451 | 0.764045 |
325 | NHW | 0.408451 | 0.764045 |
326 | UOQ | 0.408451 | 0.764045 |
327 | YLA | 0.408333 | 0.795181 |
328 | A3T | 0.408163 | 0.794521 |
329 | SSA | 0.407767 | 0.776471 |
330 | ST9 | 0.407143 | 0.764045 |
331 | 62F | 0.407143 | 0.8375 |
332 | 5F9 | 0.407143 | 0.764045 |
333 | UCC | 0.407143 | 0.764045 |
334 | DCC | 0.407143 | 0.764045 |
335 | MFK | 0.407143 | 0.764045 |
336 | MYA | 0.407143 | 0.764045 |
337 | QQX | 0.406593 | 0.826667 |
338 | ZID | 0.40625 | 0.891892 |
339 | GRA | 0.405797 | 0.781609 |
340 | HXC | 0.405797 | 0.764045 |
341 | LPA AMP | 0.405172 | 0.792683 |
342 | AYB | 0.404959 | 0.785714 |
343 | J7C | 0.404255 | 0.74359 |
344 | 0ET | 0.404255 | 0.764045 |
345 | 7DT | 0.40404 | 0.957143 |
346 | VMS | 0.403846 | 0.764706 |
347 | 52H | 0.403846 | 0.755814 |
348 | 54H | 0.403846 | 0.764706 |
349 | ANZ | 0.403509 | 0.820513 |
350 | PAX | 0.403101 | 0.82716 |
351 | TGC | 0.402878 | 0.772727 |
352 | B1U | 0.401786 | 0.714286 |
353 | CCQ | 0.4 | 0.747253 |
354 | TAD | 0.4 | 0.858974 |
355 | G3D | 0.4 | 0.905405 |
356 | 2NE | 0.4 | 0.764045 |
357 | 5CA | 0.4 | 0.776471 |
358 | S4M | 0.4 | 0.643678 |
359 | 8X1 | 0.4 | 0.730337 |
360 | 53H | 0.4 | 0.755814 |
361 | CIC | 0.4 | 0.781609 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GDP | 0.8755 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 1CY | 0.9713 |
2 | C2M | 0.9518 |
3 | GFE | 0.9441 |
4 | S0G | 0.9394 |
5 | A7K | 0.9365 |
6 | 89J | 0.9364 |
7 | AU8 | 0.9308 |
8 | DC5 | 0.9272 |
9 | 4GP | 0.9271 |
10 | YX1 | 0.9252 |
11 | STZ | 0.9252 |
12 | 26C | 0.9250 |
13 | A4Q | 0.9240 |
14 | MPK | 0.9213 |
15 | B2Y | 0.9170 |
16 | MOK | 0.9161 |
17 | 42R | 0.9160 |
18 | 50C | 0.9151 |
19 | FMQ | 0.9146 |
20 | RUG | 0.9143 |
21 | 22L | 0.9142 |
22 | CR1 | 0.9132 |
23 | 54E | 0.9132 |
24 | C93 | 0.9132 |
25 | 9GP | 0.9129 |
26 | KP2 | 0.9126 |
27 | EF2 | 0.9126 |
28 | 56N | 0.9113 |
29 | Q0K | 0.9110 |
30 | 3Y7 | 0.9103 |
31 | 16Z | 0.9093 |
32 | F5F | 0.9091 |
33 | BCK | 0.9083 |
34 | J27 | 0.9076 |
35 | DKX | 0.9058 |
36 | DKZ | 0.9057 |
37 | A4N | 0.9045 |
38 | 4NR | 0.9039 |
39 | H75 | 0.9036 |
40 | 1FF | 0.9034 |
41 | A4B | 0.9034 |
42 | A1Y | 0.9032 |
43 | CJB | 0.9032 |
44 | 8D6 | 0.9032 |
45 | 6EL | 0.9023 |
46 | A9O | 0.9022 |
47 | 4MP | 0.9022 |
48 | W29 | 0.9017 |
49 | B4O | 0.9017 |
50 | KF5 | 0.9009 |
51 | 9FH | 0.9009 |
52 | IQW | 0.9008 |
53 | 61O | 0.9003 |
54 | EI1 | 0.9002 |
55 | SV4 | 0.8996 |
56 | H4B | 0.8992 |
57 | A8Q | 0.8991 |
58 | BPS | 0.8989 |
59 | GAT | 0.8985 |
60 | BPY | 0.8983 |
61 | MEX | 0.8973 |
62 | E3X | 0.8964 |
63 | BP6 | 0.8964 |
64 | AWE | 0.8955 |
65 | SQ7 | 0.8951 |
66 | FTV | 0.8948 |
67 | CPW | 0.8943 |
68 | 9FG | 0.8940 |
69 | AUT | 0.8938 |
70 | CC5 | 0.8936 |
71 | 49O | 0.8935 |
72 | 7NU | 0.8933 |
73 | CLU | 0.8930 |
74 | 3WJ | 0.8926 |
75 | 4AB | 0.8924 |
76 | H2B | 0.8915 |
77 | CTN | 0.8915 |
78 | 9H2 | 0.8914 |
79 | 0OK | 0.8914 |
80 | PIR | 0.8912 |
81 | BIO | 0.8911 |
82 | PZ8 | 0.8909 |
83 | 5AD | 0.8908 |
84 | 96R | 0.8908 |
85 | BHS | 0.8905 |
86 | 7EL | 0.8904 |
87 | OQC | 0.8903 |
88 | URI | 0.8901 |
89 | A4T | 0.8899 |
90 | A9P | 0.8895 |
91 | 789 | 0.8892 |
92 | CGW | 0.8889 |
93 | 8UY | 0.8875 |
94 | 7L4 | 0.8873 |
95 | X48 | 0.8868 |
96 | OBP | 0.8868 |
97 | F69 | 0.8862 |
98 | Y70 | 0.8862 |
99 | JUO | 0.8856 |
100 | HBI | 0.8856 |
101 | XFE | 0.8851 |
102 | JRB | 0.8847 |
103 | TGW | 0.8845 |
104 | N8Z | 0.8844 |
105 | MAG | 0.8843 |
106 | LOG | 0.8841 |
107 | HNH | 0.8840 |
108 | QZ8 | 0.8839 |
109 | 3WK | 0.8838 |
110 | B61 | 0.8837 |
111 | JFS | 0.8836 |
112 | XIF XYP | 0.8835 |
113 | XYP XIF | 0.8834 |
114 | NYJ | 0.8833 |
115 | DNB | 0.8823 |
116 | L13 | 0.8821 |
117 | PVK | 0.8820 |
118 | OUB | 0.8820 |
119 | PVQ | 0.8818 |
120 | 49N | 0.8817 |
121 | WOE | 0.8815 |
122 | Y0V | 0.8812 |
123 | 6WR | 0.8805 |
124 | K80 | 0.8802 |
125 | NAG | 0.8798 |
126 | BP7 | 0.8795 |
127 | BP3 | 0.8790 |
128 | SQP | 0.8789 |
129 | A9K | 0.8787 |
130 | RVE | 0.8781 |
131 | 6J9 | 0.8780 |
132 | 977 | 0.8780 |
133 | RME | 0.8779 |
134 | MIL | 0.8778 |
135 | M4B | 0.8777 |
136 | KW7 | 0.8777 |
137 | 2B4 | 0.8774 |
138 | 2JX | 0.8772 |
139 | CHQ | 0.8769 |
140 | RKN | 0.8762 |
141 | T2D | 0.8755 |
142 | 6NZ | 0.8754 |
143 | 5I5 | 0.8752 |
144 | 2LX | 0.8751 |
145 | GPK | 0.8749 |
146 | NFK | 0.8743 |
147 | ADN | 0.8742 |
148 | AJD | 0.8736 |
149 | NBG | 0.8736 |
150 | 0L8 | 0.8733 |
151 | PMP | 0.8732 |
152 | NDG | 0.8728 |
153 | AKD | 0.8721 |
154 | 92O | 0.8721 |
155 | S3C | 0.8721 |
156 | TRP | 0.8720 |
157 | CG8 | 0.8714 |
158 | BY5 | 0.8711 |
159 | F4U | 0.8710 |
160 | LVY | 0.8710 |
161 | 1KN | 0.8709 |
162 | HNL | 0.8709 |
163 | TC8 | 0.8700 |
164 | NQH | 0.8698 |
165 | CFA | 0.8686 |
166 | PYU | 0.8685 |
167 | CU8 | 0.8683 |
168 | SLY | 0.8681 |
169 | JO5 | 0.8679 |
170 | FCW | 0.8677 |
171 | 6J5 | 0.8676 |
172 | NGA | 0.8675 |
173 | 90J | 0.8671 |
174 | G1P | 0.8669 |
175 | AVX | 0.8667 |
176 | 458 | 0.8665 |
177 | N3W | 0.8662 |
178 | 7M5 | 0.8662 |
179 | FD7 | 0.8660 |
180 | AMR | 0.8660 |
181 | PQS | 0.8660 |
182 | 4FC | 0.8655 |
183 | PLP | 0.8654 |
184 | A2G | 0.8654 |
185 | 92G | 0.8652 |
186 | I5A | 0.8652 |
187 | AP4 | 0.8651 |
188 | 64I | 0.8650 |
189 | 2N6 | 0.8650 |
190 | RGG | 0.8645 |
191 | DCZ | 0.8643 |
192 | LOT | 0.8637 |
193 | BRH | 0.8634 |
194 | NE1 | 0.8634 |
195 | 60Q | 0.8632 |
196 | 3WO | 0.8631 |
197 | 3WN | 0.8631 |
198 | X04 | 0.8628 |
199 | GEN | 0.8626 |
200 | JAK | 0.8623 |
201 | 2K8 | 0.8620 |
202 | XDL XYP | 0.8620 |
203 | 2AN | 0.8620 |
204 | 6HX | 0.8619 |
205 | MIF | 0.8618 |
206 | GTC | 0.8607 |
207 | CPZ | 0.8605 |
208 | F4K | 0.8605 |
209 | 7M2 | 0.8591 |
210 | 72E | 0.8586 |
211 | MUR | 0.8583 |
212 | MSR | 0.8581 |
213 | H70 | 0.8580 |
214 | LZB | 0.8580 |
215 | 3D1 | 0.8577 |
216 | 46P | 0.8576 |
217 | HHS | 0.8575 |
218 | ACE PHE | 0.8574 |
219 | QME | 0.8566 |
220 | 2TU | 0.8563 |
221 | PXP | 0.8562 |
222 | PBQ | 0.8557 |
223 | FYR | 0.8547 |
224 | G6P | 0.8544 |
225 | GI3 | 0.8531 |
226 | RBV | 0.8517 |
227 | PH2 | 0.8506 |
This union binding pocket(no: 1) in the query (biounit: 4km2.bio1) has 39 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5DXV | NAP | 37.8205 |
2 | 3NRR | D16 | 39.1061 |
This union binding pocket(no: 2) in the query (biounit: 4km2.bio1) has 38 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5DXV | NAP | 37.8205 |
This union binding pocket(no: 3) in the query (biounit: 4km2.bio2) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5DXV | NAP | 37.8205 |
This union binding pocket(no: 4) in the query (biounit: 4km2.bio2) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5DXV | NAP | 37.8205 |