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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 31 families. | |||||
1 | 4RMG | ic50 = 0.14 uM | 3TE | C22 H20 N4 O S2 | Cc1cc(nc(n.... |
2 | 4R8M | - | PRO LYS LYS THR GLY 3LX | n/a | n/a |
3 | 4RMH | - | 3TE | C22 H20 N4 O S2 | Cc1cc(nc(n.... |
4 | 5DY4 | ic50 = 0.21 uM | 5GN | C22 H19 Br N4 O S2 | Cc1cc(nc(n.... |
5 | 4Y6L | - | THR ALA ARG MYK SER THR GLY | n/a | n/a |
6 | 5MAR | ic50 = 41.2 uM | 7KE | C11 H11 Cl N2 O2 | c1cc(ccc1c.... |
7 | 3ZGV | - | AR6 | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
8 | 4Y6O | - | LEU PRO LYS MYK THR GLY GLY | n/a | n/a |
9 | 4RMJ | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
10 | 5DY5 | ic50 = 0.163 uM | 5GR | C28 H27 N7 O2 S2 | Cc1cc(nc(n.... |
11 | 5D7P | ic50 = 20 uM | OCZ | C13 H13 Cl N2 O | c1cc2c(cc1.... |
12 | 4RMI | - | 3TK | C18 H18 N4 O S2 | Cc1cc(nc(n.... |
13 | 5Y0Z | ic50 = 0.46 uM | 8K9 | C30 H44 N2 O3 | CCC(C)(C)c.... |
14 | 5YQN | ic50 = 93.7 uM | L55 | C26 H26 N6 O3 S | Cc1cc(nc(n.... |
15 | 5MAT | ic50 = 0.58 uM | 7KJ | C28 H28 N4 O3 S | Cc1c(c(on1.... |
16 | 6QCN | - | QUE | C15 H10 O7 | c1cc(c(cc1.... |
17 | 4Y6Q | - | OMR | C29 H49 N5 O15 P2 | CCCCCCCCCC.... |
18 | 5D7Q | ic50 = 2.8 uM | 4I5 | C14 H15 Cl N2 O | c1cc2c(cc1.... |
19 | 5YQM | - | A2X | C20 H19 N3 O S2 | Cc1cc(nc(n.... |
20 | 5G4C | Kd = 13.7 uM | ARG ALA ALA 6G4 THR | n/a | n/a |
21 | 5YQL | ic50 = 25.9 uM | A2I | C21 H21 N3 O2 S | Cc1cc(nc(n.... |
22 | 5YQO | ic50 = 0.815 uM | L5C | C26 H26 N6 O3 S | Cc1cc(nc(n.... |
23 | 5D7O | - | AR6 | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 20 families. | |||||
1 | 1SZD | Kd = 29.16 uM | APR | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
2 | 1Q1A | - | OAD | C17 H25 N5 O15 P2 | CC(=O)O[C@.... |
3 | 1SZC | - | CNA | C22 H30 N7 O13 P2 | c1cc(c[n+].... |
4 | 4RMG | ic50 = 0.14 uM | 3TE | C22 H20 N4 O S2 | Cc1cc(nc(n.... |
5 | 4R8M | - | PRO LYS LYS THR GLY 3LX | n/a | n/a |
6 | 4RMH | - | 3TE | C22 H20 N4 O S2 | Cc1cc(nc(n.... |
7 | 5DY4 | ic50 = 0.21 uM | 5GN | C22 H19 Br N4 O S2 | Cc1cc(nc(n.... |
8 | 4Y6L | - | THR ALA ARG MYK SER THR GLY | n/a | n/a |
9 | 5MAR | ic50 = 41.2 uM | 7KE | C11 H11 Cl N2 O2 | c1cc(ccc1c.... |
10 | 3ZGV | - | AR6 | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
11 | 4Y6O | - | LEU PRO LYS MYK THR GLY GLY | n/a | n/a |
12 | 4RMJ | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
13 | 5DY5 | ic50 = 0.163 uM | 5GR | C28 H27 N7 O2 S2 | Cc1cc(nc(n.... |
14 | 5D7P | ic50 = 20 uM | OCZ | C13 H13 Cl N2 O | c1cc2c(cc1.... |
15 | 4RMI | - | 3TK | C18 H18 N4 O S2 | Cc1cc(nc(n.... |
16 | 5Y0Z | ic50 = 0.46 uM | 8K9 | C30 H44 N2 O3 | CCC(C)(C)c.... |
17 | 5YQN | ic50 = 93.7 uM | L55 | C26 H26 N6 O3 S | Cc1cc(nc(n.... |
18 | 5MAT | ic50 = 0.58 uM | 7KJ | C28 H28 N4 O3 S | Cc1c(c(on1.... |
19 | 6QCN | - | QUE | C15 H10 O7 | c1cc(c(cc1.... |
20 | 4Y6Q | - | OMR | C29 H49 N5 O15 P2 | CCCCCCCCCC.... |
21 | 5D7Q | ic50 = 2.8 uM | 4I5 | C14 H15 Cl N2 O | c1cc2c(cc1.... |
22 | 5YQM | - | A2X | C20 H19 N3 O S2 | Cc1cc(nc(n.... |
23 | 5G4C | Kd = 13.7 uM | ARG ALA ALA 6G4 THR | n/a | n/a |
24 | 5YQL | ic50 = 25.9 uM | A2I | C21 H21 N3 O2 S | Cc1cc(nc(n.... |
25 | 5YQO | ic50 = 0.815 uM | L5C | C26 H26 N6 O3 S | Cc1cc(nc(n.... |
26 | 5D7O | - | AR6 | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
27 | 4FZ3 | - | ACE ARG HIS LYS ALY MCM | n/a | n/a |
28 | 4JT9 | ic50 = 0.0072 uM | 1NS | C15 H21 N5 O3 S2 | CS(=O)(=O).... |
29 | 5BWO | - | PLM GLN THR ALA ARG LYS SER THR GLY GLY TRP | n/a | n/a |
30 | 4JT8 | ic50 = 0.033 uM | 1NR | C19 H27 N5 O2 S | CC(C)(C)C(.... |
31 | 4BV3 | Kd = 16.5 uM | OCZ | C13 H13 Cl N2 O | c1cc2c(cc1.... |
32 | 4BVH | - | OAD | C17 H25 N5 O15 P2 | CC(=O)O[C@.... |
33 | 4C7B | - | ARG HIS LYS FDL | n/a | n/a |
34 | 4C78 | - | BVB | C14 H11 Br O2 | c1cc(ccc1/.... |
35 | 5BWN | - | GLN THR ALA ARG MYK SER THR GLY GLY TRP | n/a | n/a |
36 | 4BN4 | - | AR6 | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
37 | 4JSR | ic50 = 0.004 uM | 1NQ | C22 H26 N6 O3 S2 | CCNC(=O)c1.... |
38 | 4BVE | - | THR ARG SER GLY FZN VAL MET ARG ARG LEU | n/a | n/a |
39 | 4BVB | - | AR6 | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
40 | 4FVT | - | CNA | C22 H30 N7 O13 P2 | c1cc(c[n+].... |
41 | 4I5I | - | 4I5 | C14 H15 Cl N2 O | c1cc2c(cc1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | APR | 1 | 1 |
2 | AR6 | 1 | 1 |
3 | A2D | 0.898551 | 0.971831 |
4 | BA3 | 0.847222 | 0.971831 |
5 | AP5 | 0.835616 | 0.971831 |
6 | B4P | 0.835616 | 0.971831 |
7 | M33 | 0.813333 | 0.958333 |
8 | ADP | 0.810811 | 0.971831 |
9 | RBY | 0.805195 | 0.958904 |
10 | ADV | 0.805195 | 0.958904 |
11 | HEJ | 0.802632 | 0.971831 |
12 | ATP | 0.802632 | 0.971831 |
13 | AN2 | 0.8 | 0.958333 |
14 | AT4 | 0.8 | 0.932432 |
15 | AQP | 0.792208 | 0.971831 |
16 | 5FA | 0.792208 | 0.971831 |
17 | AD9 | 0.782051 | 0.945205 |
18 | AGS | 0.782051 | 0.92 |
19 | ACP | 0.779221 | 0.945205 |
20 | AMP | 0.753425 | 0.943662 |
21 | A | 0.753425 | 0.943662 |
22 | 3OD | 0.747126 | 0.972222 |
23 | HQG | 0.746988 | 0.985915 |
24 | PRX | 0.746835 | 0.893333 |
25 | 9X8 | 0.744186 | 0.945946 |
26 | OAD | 0.744186 | 0.972222 |
27 | CA0 | 0.74359 | 0.972222 |
28 | ADX | 0.74359 | 0.873418 |
29 | ACQ | 0.740741 | 0.945205 |
30 | ANP | 0.740741 | 0.945205 |
31 | A22 | 0.738095 | 0.958333 |
32 | 50T | 0.734177 | 0.931507 |
33 | KG4 | 0.734177 | 0.972222 |
34 | JNT | 0.732558 | 0.945205 |
35 | A2R | 0.72619 | 0.985915 |
36 | ABM | 0.723684 | 0.917808 |
37 | 45A | 0.723684 | 0.917808 |
38 | ATF | 0.722892 | 0.932432 |
39 | A3R | 0.72093 | 0.907895 |
40 | ADQ | 0.72093 | 0.972222 |
41 | A1R | 0.72093 | 0.907895 |
42 | AMP MG | 0.72 | 0.929577 |
43 | 6YZ | 0.714286 | 0.945205 |
44 | AP2 | 0.705128 | 0.932432 |
45 | A12 | 0.705128 | 0.932432 |
46 | KMQ | 0.703297 | 0.958904 |
47 | SRA | 0.697368 | 0.893333 |
48 | 5AL | 0.690476 | 0.958333 |
49 | 8LE | 0.690476 | 0.92 |
50 | ADP MG | 0.6875 | 0.943662 |
51 | ADP BEF | 0.6875 | 0.943662 |
52 | APC | 0.682927 | 0.932432 |
53 | AU1 | 0.679012 | 0.945205 |
54 | T99 | 0.678571 | 0.932432 |
55 | TAT | 0.678571 | 0.932432 |
56 | QA7 | 0.678161 | 0.92 |
57 | 8LH | 0.674419 | 0.932432 |
58 | SRP | 0.674419 | 0.932432 |
59 | BIS | 0.67033 | 0.907895 |
60 | 25L | 0.663043 | 0.958333 |
61 | 4AD | 0.662921 | 0.945946 |
62 | 8LQ | 0.659091 | 0.932432 |
63 | DLL | 0.655556 | 0.958333 |
64 | 00A | 0.655556 | 0.907895 |
65 | ATP MG | 0.654762 | 0.943662 |
66 | APC MG | 0.654762 | 0.917808 |
67 | ADP PO3 | 0.654762 | 0.943662 |
68 | 8QN | 0.651685 | 0.958333 |
69 | OZV | 0.651685 | 0.971831 |
70 | 5SV | 0.651685 | 0.848101 |
71 | 25A | 0.651685 | 0.944444 |
72 | OOB | 0.651685 | 0.958333 |
73 | DQV | 0.649485 | 0.958333 |
74 | BEF ADP | 0.647059 | 0.917808 |
75 | PAJ | 0.644444 | 0.909091 |
76 | AMO | 0.644444 | 0.958904 |
77 | MAP | 0.640449 | 0.92 |
78 | OMR | 0.64 | 0.875 |
79 | AFH | 0.639175 | 0.909091 |
80 | AHX | 0.637363 | 0.896104 |
81 | FYA | 0.634409 | 0.905405 |
82 | V2G | 0.632184 | 0.896104 |
83 | 3UK | 0.630435 | 0.945205 |
84 | NAX | 0.63 | 0.873418 |
85 | G3A | 0.628866 | 0.896104 |
86 | SON | 0.626506 | 0.932432 |
87 | VO4 ADP | 0.625 | 0.918919 |
88 | ALF ADP | 0.625 | 0.87013 |
89 | ANP MG | 0.625 | 0.931507 |
90 | B5V | 0.623656 | 0.932432 |
91 | PR8 | 0.623656 | 0.873418 |
92 | LAD | 0.623656 | 0.884615 |
93 | WAQ | 0.623656 | 0.907895 |
94 | G5P | 0.622449 | 0.896104 |
95 | GAP | 0.62069 | 0.918919 |
96 | LMS | 0.620253 | 0.82716 |
97 | 48N | 0.62 | 0.921053 |
98 | AP0 | 0.617647 | 0.896104 |
99 | L3W | 0.617647 | 0.932432 |
100 | 1ZZ | 0.617021 | 0.8625 |
101 | NB8 | 0.617021 | 0.921053 |
102 | ME8 | 0.617021 | 0.8625 |
103 | TXA | 0.617021 | 0.958904 |
104 | PTJ | 0.617021 | 0.896104 |
105 | GTA | 0.616162 | 0.8625 |
106 | FA5 | 0.614583 | 0.932432 |
107 | NAI | 0.613861 | 0.907895 |
108 | DND | 0.613861 | 0.958904 |
109 | 6V0 | 0.613861 | 0.896104 |
110 | TXD | 0.613861 | 0.907895 |
111 | TXE | 0.607843 | 0.907895 |
112 | DAL AMP | 0.604396 | 0.931507 |
113 | 9SN | 0.604167 | 0.896104 |
114 | UP5 | 0.598039 | 0.92 |
115 | B5Y | 0.597938 | 0.92 |
116 | B5M | 0.597938 | 0.92 |
117 | 9ZD | 0.597826 | 0.907895 |
118 | 9ZA | 0.597826 | 0.907895 |
119 | XAH | 0.591837 | 0.839506 |
120 | RAB | 0.589041 | 0.84507 |
121 | XYA | 0.589041 | 0.84507 |
122 | ADN | 0.589041 | 0.84507 |
123 | 2A5 | 0.586207 | 0.893333 |
124 | 4UV | 0.585859 | 0.92 |
125 | AOC | 0.585366 | 0.821918 |
126 | ADJ | 0.584906 | 0.875 |
127 | 7D4 | 0.581395 | 0.88 |
128 | ITT | 0.581395 | 0.916667 |
129 | A4P | 0.580952 | 0.821429 |
130 | ATR | 0.579545 | 0.943662 |
131 | PAP | 0.579545 | 0.957747 |
132 | CNA | 0.579439 | 0.932432 |
133 | ADP BMA | 0.578947 | 0.945205 |
134 | 5AS | 0.576471 | 0.77907 |
135 | 4UU | 0.574257 | 0.92 |
136 | GA7 | 0.574257 | 0.906667 |
137 | F2R | 0.574074 | 0.864198 |
138 | 5N5 | 0.573333 | 0.819444 |
139 | 7D3 | 0.571429 | 0.88 |
140 | 4TC | 0.571429 | 0.896104 |
141 | 139 | 0.570093 | 0.873418 |
142 | T5A | 0.570093 | 0.841463 |
143 | COD | 0.568807 | 0.811765 |
144 | JB6 | 0.56701 | 0.883117 |
145 | A4D | 0.565789 | 0.819444 |
146 | 5CD | 0.565789 | 0.805556 |
147 | EP4 | 0.564103 | 0.753247 |
148 | LAQ | 0.563107 | 0.8625 |
149 | NA7 | 0.5625 | 0.932432 |
150 | TYM | 0.561905 | 0.932432 |
151 | 80F | 0.558559 | 0.864198 |
152 | YLP | 0.557692 | 0.841463 |
153 | G5A | 0.555556 | 0.77907 |
154 | JSQ | 0.555556 | 0.92 |
155 | HFD | 0.555556 | 0.92 |
156 | 4UW | 0.552381 | 0.884615 |
157 | ATP A | 0.55 | 0.930556 |
158 | ATP A A A | 0.55 | 0.930556 |
159 | AVV | 0.547368 | 0.896104 |
160 | A3P | 0.546512 | 0.943662 |
161 | MYR AMP | 0.545455 | 0.839506 |
162 | 7D5 | 0.54321 | 0.853333 |
163 | G1R | 0.542553 | 0.907895 |
164 | UPA | 0.542056 | 0.907895 |
165 | YLB | 0.542056 | 0.841463 |
166 | YLC | 0.542056 | 0.8625 |
167 | NAD | 0.540541 | 0.931507 |
168 | H1Q | 0.539326 | 0.90411 |
169 | AMP DBH | 0.539216 | 0.918919 |
170 | TAD | 0.538462 | 0.884615 |
171 | DTA | 0.5375 | 0.786667 |
172 | M2T | 0.5375 | 0.734177 |
173 | 3DH | 0.536585 | 0.773333 |
174 | AYB | 0.536364 | 0.831325 |
175 | EAD | 0.533898 | 0.873418 |
176 | AHZ | 0.533333 | 0.839506 |
177 | FB0 | 0.532787 | 0.784091 |
178 | IOT | 0.53211 | 0.831325 |
179 | A3D | 0.530973 | 0.918919 |
180 | MTA | 0.530864 | 0.773333 |
181 | 3AM | 0.53012 | 0.902778 |
182 | ARG AMP | 0.528846 | 0.829268 |
183 | AR6 AR6 | 0.528846 | 0.944444 |
184 | A2P | 0.528736 | 0.929577 |
185 | YLA | 0.527273 | 0.841463 |
186 | 6AD | 0.526882 | 0.884615 |
187 | PPS | 0.526882 | 0.85 |
188 | BTX | 0.526786 | 0.819277 |
189 | NAE | 0.525862 | 0.894737 |
190 | BT5 | 0.522124 | 0.831325 |
191 | A5A | 0.521277 | 0.807229 |
192 | TSB | 0.520833 | 0.819277 |
193 | 6RE | 0.517647 | 0.7375 |
194 | P1H | 0.516393 | 0.851852 |
195 | 3AT | 0.516129 | 0.944444 |
196 | SSA | 0.515789 | 0.8 |
197 | 7MD | 0.514286 | 0.886076 |
198 | 52H | 0.510417 | 0.77907 |
199 | 54H | 0.510417 | 0.788235 |
200 | VMS | 0.510417 | 0.788235 |
201 | NO7 | 0.510417 | 0.906667 |
202 | NSS | 0.510204 | 0.8 |
203 | NAQ | 0.508475 | 0.871795 |
204 | ZAS | 0.505882 | 0.766234 |
205 | IMO | 0.505747 | 0.902778 |
206 | A3N | 0.505747 | 0.786667 |
207 | J7C | 0.505747 | 0.746835 |
208 | CUU | 0.505495 | 0.944444 |
209 | AV2 | 0.505263 | 0.891892 |
210 | R5I | 0.505263 | 0.918919 |
211 | R7I | 0.505263 | 0.918919 |
212 | 53H | 0.505155 | 0.77907 |
213 | 8X1 | 0.505155 | 0.752809 |
214 | 5CA | 0.505155 | 0.8 |
215 | NVA LMS | 0.50505 | 0.752809 |
216 | ARU | 0.50505 | 0.8375 |
217 | 9K8 | 0.504951 | 0.733333 |
218 | ALF ADP 3PG | 0.504587 | 0.860759 |
219 | AF3 ADP 3PG | 0.504587 | 0.860759 |
220 | YLY | 0.504274 | 0.831325 |
221 | ZID | 0.504202 | 0.918919 |
222 | DTP | 0.5 | 0.88 |
223 | V3L | 0.5 | 0.971831 |
224 | 2AM | 0.5 | 0.916667 |
225 | NAD TDB | 0.5 | 0.917808 |
226 | S4M | 0.5 | 0.666667 |
227 | 6MZ | 0.5 | 0.90411 |
228 | LPA AMP | 0.5 | 0.839506 |
229 | FDA | 0.5 | 0.811765 |
230 | LEU LMS | 0.5 | 0.75 |
231 | NAD IBO | 0.5 | 0.917808 |
232 | FNK | 0.496183 | 0.784091 |
233 | 6FA | 0.496063 | 0.841463 |
234 | DZD | 0.495652 | 0.884615 |
235 | P5A | 0.49505 | 0.744444 |
236 | DSZ | 0.494949 | 0.821429 |
237 | LSS | 0.494949 | 0.761364 |
238 | MAO | 0.494382 | 0.759036 |
239 | DSH | 0.494253 | 0.725 |
240 | M24 | 0.491525 | 0.873418 |
241 | NJP | 0.491228 | 0.92 |
242 | O02 | 0.489362 | 0.896104 |
243 | DAT | 0.48913 | 0.88 |
244 | 5X8 | 0.48913 | 0.786667 |
245 | SFD | 0.488372 | 0.734043 |
246 | FAD | 0.488372 | 0.851852 |
247 | FAS | 0.488372 | 0.851852 |
248 | NWW | 0.4875 | 0.760563 |
249 | D4F | 0.487395 | 0.8625 |
250 | NAJ PZO | 0.487179 | 0.848101 |
251 | 0WD | 0.486957 | 0.896104 |
252 | NPW | 0.486726 | 0.8625 |
253 | 7MC | 0.486486 | 0.864198 |
254 | 7DT | 0.483871 | 0.957747 |
255 | 7DD | 0.483516 | 0.957747 |
256 | GJV | 0.483146 | 0.728395 |
257 | OVE | 0.482759 | 0.88 |
258 | 5AD | 0.480519 | 0.746479 |
259 | GSU | 0.480392 | 0.8 |
260 | KAA | 0.480392 | 0.752809 |
261 | NDE | 0.48 | 0.906667 |
262 | 38V | 0.479339 | 0.8625 |
263 | N0B | 0.479339 | 0.841463 |
264 | A5D | 0.478723 | 0.786667 |
265 | ODP | 0.478261 | 0.884615 |
266 | RGT | 0.47619 | 0.958904 |
267 | XNP | 0.474138 | 0.85 |
268 | AMP NAD | 0.474138 | 0.931507 |
269 | 4TA | 0.474138 | 0.807229 |
270 | NDP | 0.473684 | 0.896104 |
271 | 62F | 0.473684 | 0.8625 |
272 | SFG | 0.473118 | 0.773333 |
273 | NDC | 0.472441 | 0.871795 |
274 | YSA | 0.471698 | 0.77907 |
275 | NAJ PYZ | 0.471074 | 0.807229 |
276 | ENP | 0.470588 | 0.918919 |
277 | FAY | 0.470149 | 0.8625 |
278 | NZQ | 0.469565 | 0.884615 |
279 | TXP | 0.469565 | 0.896104 |
280 | DDS | 0.46875 | 0.853333 |
281 | A7D | 0.467391 | 0.776316 |
282 | RFL | 0.466667 | 0.821429 |
283 | ENQ | 0.466019 | 0.943662 |
284 | AAT | 0.463918 | 0.707317 |
285 | SA8 | 0.463158 | 0.728395 |
286 | 7C5 | 0.462963 | 0.818182 |
287 | MHZ | 0.462366 | 0.697674 |
288 | K3K | 0.462264 | 0.802632 |
289 | 8PZ | 0.462264 | 0.8 |
290 | 71V | 0.461538 | 0.883117 |
291 | F2N | 0.460993 | 0.793103 |
292 | NEC | 0.460674 | 0.746667 |
293 | A3G | 0.460674 | 0.8 |
294 | GGZ | 0.46 | 0.825 |
295 | 6C6 | 0.458333 | 0.857143 |
296 | SAI | 0.458333 | 0.75641 |
297 | SAH | 0.458333 | 0.766234 |
298 | B1U | 0.457944 | 0.736264 |
299 | LQJ | 0.457944 | 0.917808 |
300 | P5F | 0.457143 | 0.823529 |
301 | Y3J | 0.45679 | 0.726027 |
302 | PO4 PO4 A A A A PO4 | 0.456311 | 0.902778 |
303 | 7D7 | 0.455696 | 0.743243 |
304 | SMM | 0.454545 | 0.705882 |
305 | V1N | 0.453704 | 0.944444 |
306 | K3E | 0.453704 | 0.792208 |
307 | 6IA | 0.453608 | 0.814815 |
308 | SAM | 0.453608 | 0.710843 |
309 | J4G | 0.451923 | 0.92 |
310 | WSA | 0.451327 | 0.788235 |
311 | EEM | 0.44898 | 0.710843 |
312 | PGS | 0.446809 | 0.858974 |
313 | KOY | 0.446429 | 0.826667 |
314 | DCA | 0.446281 | 0.802326 |
315 | ETB | 0.446281 | 0.811765 |
316 | 2SA | 0.444444 | 0.932432 |
317 | D5M | 0.444444 | 0.853333 |
318 | DA | 0.444444 | 0.853333 |
319 | GP3 | 0.443299 | 0.896104 |
320 | 9JJ | 0.442857 | 0.8625 |
321 | 128 | 0.442478 | 0.776471 |
322 | 4YB | 0.441441 | 0.781609 |
323 | QXP | 0.441176 | 0.764706 |
324 | GEK | 0.441176 | 0.759494 |
325 | S7M | 0.44 | 0.710843 |
326 | Z5A | 0.44 | 0.77907 |
327 | V47 | 0.44 | 0.808219 |
328 | 30N | 0.44 | 0.734043 |
329 | AAM | 0.43956 | 0.943662 |
330 | 0T1 | 0.439024 | 0.802326 |
331 | COA | 0.439024 | 0.802326 |
332 | 12D | 0.4375 | 0.785714 |
333 | FA9 | 0.4375 | 0.841463 |
334 | C2R | 0.436782 | 0.90411 |
335 | AMZ | 0.436782 | 0.890411 |
336 | A3S | 0.43617 | 0.810811 |
337 | N6P | 0.432692 | 0.888889 |
338 | NWQ | 0.431818 | 0.739726 |
339 | FAJ | 0.431507 | 0.831325 |
340 | PUA | 0.430894 | 0.860759 |
341 | DG1 | 0.428571 | 0.896104 |
342 | AMX | 0.428571 | 0.811765 |
343 | QXG | 0.428571 | 0.755814 |
344 | 1DG | 0.428571 | 0.896104 |
345 | CAO | 0.428571 | 0.775281 |
346 | AIR | 0.428571 | 0.875 |
347 | N5O | 0.428571 | 0.763158 |
348 | A6D | 0.428571 | 0.722892 |
349 | TAP | 0.428571 | 0.883117 |
350 | COS | 0.428571 | 0.784091 |
351 | 6K6 | 0.427184 | 0.90411 |
352 | A3T | 0.427083 | 0.821918 |
353 | NIA | 0.426966 | 0.8 |
354 | PLP AAD | 0.42623 | 0.733333 |
355 | 649 | 0.426087 | 0.744444 |
356 | GTP | 0.425743 | 0.894737 |
357 | SCO | 0.425197 | 0.823529 |
358 | CMX | 0.425197 | 0.823529 |
359 | G2R | 0.424528 | 0.860759 |
360 | R2V | 0.424528 | 0.764706 |
361 | GDP | 0.424242 | 0.894737 |
362 | 7RA | 0.423913 | 0.930556 |
363 | 0UM | 0.423077 | 0.719512 |
364 | OXK | 0.423077 | 0.804598 |
365 | 8Q2 | 0.422414 | 0.772727 |
366 | ACO | 0.421875 | 0.775281 |
367 | FCX | 0.421875 | 0.795455 |
368 | FAM | 0.421875 | 0.784091 |
369 | GCP | 0.421569 | 0.871795 |
370 | NAP | 0.420635 | 0.918919 |
371 | O05 | 0.420561 | 0.821429 |
372 | SXZ | 0.420561 | 0.731707 |
373 | GNH | 0.42 | 0.883117 |
374 | N5A | 0.419355 | 0.736842 |
375 | 62X | 0.419048 | 0.686047 |
376 | K2H | 0.419048 | 0.75641 |
377 | APU | 0.418803 | 0.87013 |
378 | HAX | 0.418605 | 0.784091 |
379 | NVA 2AD | 0.418367 | 0.759494 |
380 | GKE | 0.418182 | 0.884615 |
381 | GDC | 0.418182 | 0.884615 |
382 | K2W | 0.418182 | 0.740741 |
383 | GDD | 0.418182 | 0.884615 |
384 | 101 | 0.417582 | 0.853333 |
385 | KY2 | 0.417476 | 0.710843 |
386 | GSP | 0.417476 | 0.85 |
387 | 2MC | 0.416667 | 0.75 |
388 | 3AD | 0.416667 | 0.805556 |
389 | HDV | 0.415842 | 0.868421 |
390 | FYN | 0.415385 | 0.802326 |
391 | 3KK | 0.415385 | 0.784091 |
392 | K15 | 0.415094 | 0.702381 |
393 | G2Q | 0.415094 | 0.860759 |
394 | NA0 | 0.414062 | 0.906667 |
395 | 7L1 | 0.414062 | 0.775281 |
396 | IVC | 0.413534 | 0.793103 |
397 | S8M | 0.413462 | 0.759494 |
398 | NHD | 0.413223 | 0.905405 |
399 | 7RP | 0.413043 | 0.901408 |
400 | K38 | 0.412844 | 0.779221 |
401 | MCD | 0.412214 | 0.804598 |
402 | COK | 0.412214 | 0.784091 |
403 | KGP | 0.412214 | 0.71134 |
404 | CA6 | 0.412214 | 0.71134 |
405 | YZS | 0.412214 | 0.71134 |
406 | SOP | 0.412214 | 0.784091 |
407 | K2K | 0.411215 | 0.7375 |
408 | CZF | 0.41 | 0.905405 |
409 | KYB | 0.409524 | 0.710843 |
410 | CO6 | 0.409091 | 0.784091 |
411 | NMX | 0.409091 | 0.741935 |
412 | KL2 | 0.409091 | 0.813333 |
413 | CMC | 0.409091 | 0.804598 |
414 | 1VU | 0.409091 | 0.775281 |
415 | AS | 0.408602 | 0.810127 |
416 | CNV FAD | 0.408451 | 0.772727 |
417 | K2R | 0.407407 | 0.88 |
418 | ACK | 0.406593 | 0.861111 |
419 | QQY | 0.406593 | 0.815789 |
420 | 6YU | 0.40625 | 0.734043 |
421 | SCD | 0.406015 | 0.823529 |
422 | CAJ | 0.406015 | 0.804598 |
423 | DZ4 | 0.405941 | 0.857143 |
424 | QBQ | 0.405941 | 0.881579 |
425 | NAD BBN | 0.405797 | 0.841463 |
426 | K3H | 0.405405 | 0.75 |
427 | 9BG | 0.404959 | 0.871795 |
428 | KGA | 0.404412 | 0.744681 |
429 | EO7 | 0.404255 | 0.788235 |
430 | 8BR | 0.404255 | 0.881579 |
431 | GNP | 0.403846 | 0.871795 |
432 | 9GM | 0.403846 | 0.871795 |
433 | KY5 | 0.40367 | 0.725 |
434 | KB1 | 0.40367 | 0.719512 |
435 | TM1 | 0.40367 | 0.77381 |
436 | APX | 0.40367 | 0.907895 |
437 | SLU | 0.403226 | 0.770115 |
438 | BCO | 0.402985 | 0.784091 |
439 | KGJ | 0.402985 | 0.734043 |
440 | 3HC | 0.402985 | 0.793103 |
441 | A1S | 0.402985 | 0.784091 |
442 | 1HE | 0.402985 | 0.766667 |
443 | MLC | 0.402985 | 0.804598 |
444 | 1CZ | 0.402878 | 0.795455 |
445 | CC5 | 0.402439 | 0.816901 |
446 | NMN AMP PO4 | 0.401639 | 0.87013 |
447 | FAQ | 0.40146 | 0.784091 |
448 | CAA | 0.4 | 0.793103 |
449 | LCV | 0.4 | 0.721649 |
450 | COO | 0.4 | 0.784091 |
451 | MCA | 0.4 | 0.795455 |
452 | YE1 | 0.4 | 0.793103 |
453 | CMP | 0.4 | 0.901408 |
454 | NAD CJ3 | 0.4 | 0.811765 |
455 | SO5 | 0.4 | 0.721649 |
456 | 2BA | 0.4 | 0.915493 |
No: | Ligand | Similarity coefficient |
---|
No: | Ligand | Similarity coefficient |
---|---|---|
1 | THM | 0.9050 |
2 | DNQ | 0.9045 |
3 | B86 | 0.9025 |
4 | F2W | 0.9025 |
5 | URI | 0.9025 |
6 | GNV | 0.9011 |
7 | CNI | 0.9007 |
8 | MCY | 0.8989 |
9 | 5BT | 0.8939 |
10 | DUR | 0.8931 |
11 | DCZ | 0.8915 |
12 | ADN | 0.8883 |
13 | ID2 | 0.8863 |
14 | CTN | 0.8825 |
15 | 0DN | 0.8825 |
16 | AH6 | 0.8823 |
17 | MTA | 0.8821 |
18 | NPX | 0.8817 |
19 | A04 | 0.8810 |
20 | 0J4 | 0.8809 |
21 | 3D1 | 0.8804 |
22 | KMY | 0.8792 |
23 | V2Z | 0.8790 |
24 | G30 | 0.8786 |
25 | NPS | 0.8778 |
26 | 8EQ | 0.8774 |
27 | AH9 | 0.8766 |
28 | B98 | 0.8758 |
29 | T1N | 0.8757 |
30 | GNY | 0.8755 |
31 | BGU | 0.8740 |
32 | 5AD | 0.8736 |
33 | B21 | 0.8736 |
34 | C8O | 0.8713 |
35 | THU | 0.8689 |
36 | BZJ | 0.8685 |
37 | AO6 | 0.8666 |
38 | TYU | 0.8664 |
39 | H4B | 0.8651 |
40 | 0J5 | 0.8649 |
41 | WL3 | 0.8643 |
42 | NI9 | 0.8639 |
43 | XEV | 0.8639 |
44 | 6ZW | 0.8638 |
45 | AH3 | 0.8637 |
46 | X0W | 0.8636 |
47 | HBI | 0.8627 |
48 | WS6 | 0.8627 |
49 | Q4G | 0.8622 |
50 | QMR | 0.8615 |
51 | 7D7 | 0.8615 |
52 | GHM | 0.8604 |
53 | 535 | 0.8591 |
54 | 3BH | 0.8581 |
55 | GF1 | 0.8575 |
56 | MUK | 0.8573 |
57 | 78Y | 0.8571 |
58 | EV2 | 0.8571 |
59 | 2TU | 0.8571 |
60 | TRP | 0.8567 |
61 | 1SF | 0.8566 |
62 | S98 | 0.8549 |
63 | MS0 | 0.8547 |
64 | HRX | 0.8546 |
65 | B23 | 0.8545 |
66 | IQ5 | 0.8542 |
67 | NOS | 0.8524 |
This union binding pocket(no: 1) in the query (biounit: 5dy5.bio2) has 61 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5OCQ | CIT | 4.21053 |
This union binding pocket(no: 2) in the query (biounit: 5dy5.bio1) has 64 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5OCQ | CIT | 4.21053 |
This union binding pocket(no: 3) in the query (biounit: 5dy5.bio1) has 64 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |