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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 | NAD IBO | 0.885714 | 0.985915 |
2 | NAD TDB | 0.885714 | 0.985915 |
3 | A3D | 0.872727 | 0.986111 |
4 | NHD | 0.821429 | 0.972222 |
5 | NAP | 0.811966 | 0.986111 |
6 | NFD | 0.791304 | 0.946667 |
7 | DND | 0.765766 | 0.972603 |
8 | AMP NAD | 0.74359 | 0.972222 |
9 | ZID | 0.737705 | 0.986111 |
10 | NAQ | 0.729508 | 0.934211 |
11 | NAE | 0.721311 | 0.959459 |
12 | NA0 | 0.712 | 0.972603 |
13 | TAP | 0.704 | 0.921053 |
14 | NDE | 0.689922 | 0.972603 |
15 | NAJ | 0.683333 | 0.972222 |
16 | NDC | 0.679389 | 0.934211 |
17 | NDO | 0.674603 | 0.958904 |
18 | N01 | 0.656 | 0.972222 |
19 | CNA | 0.642276 | 0.972603 |
20 | NBP | 0.621212 | 0.922078 |
21 | NAD BBN | 0.609929 | 0.876543 |
22 | 8ID | 0.609756 | 0.922078 |
23 | NAD CJ3 | 0.601399 | 0.845238 |
24 | ADP MG | 0.584906 | 0.957747 |
25 | ADP BEF | 0.584906 | 0.957747 |
26 | A2D | 0.576923 | 0.958333 |
27 | ADP | 0.575472 | 0.931507 |
28 | NGD | 0.574803 | 0.922078 |
29 | BA3 | 0.566038 | 0.958333 |
30 | NAD NDT | 0.565789 | 0.755319 |
31 | M33 | 0.564815 | 0.918919 |
32 | ADP PO3 | 0.563636 | 0.957747 |
33 | ATP MG | 0.563636 | 0.957747 |
34 | AP5 | 0.560748 | 0.958333 |
35 | B4P | 0.560748 | 0.958333 |
36 | BEF ADP | 0.558559 | 0.931507 |
37 | VO4 ADP | 0.557522 | 0.932432 |
38 | AT4 | 0.555556 | 0.894737 |
39 | AN2 | 0.555556 | 0.918919 |
40 | GAP | 0.553571 | 0.932432 |
41 | OOB | 0.551724 | 0.972222 |
42 | CA0 | 0.550459 | 0.932432 |
43 | 9JJ | 0.546053 | 0.898734 |
44 | ATP | 0.545455 | 0.931507 |
45 | HEJ | 0.545455 | 0.931507 |
46 | ACP | 0.545455 | 0.906667 |
47 | KG4 | 0.545455 | 0.932432 |
48 | DQV | 0.544 | 0.972222 |
49 | ALF ADP | 0.54386 | 0.883117 |
50 | ANP MG | 0.54386 | 0.945205 |
51 | DAL AMP | 0.543103 | 0.945205 |
52 | 8LQ | 0.543103 | 0.92 |
53 | AQP | 0.540541 | 0.931507 |
54 | APR | 0.540541 | 0.931507 |
55 | AR6 | 0.540541 | 0.931507 |
56 | 5FA | 0.540541 | 0.931507 |
57 | AGS | 0.535714 | 0.883117 |
58 | AD9 | 0.535714 | 0.906667 |
59 | WAQ | 0.533333 | 0.896104 |
60 | ABM | 0.53271 | 0.905405 |
61 | 45A | 0.53271 | 0.905405 |
62 | QA7 | 0.529915 | 0.907895 |
63 | DLL | 0.529412 | 0.972222 |
64 | 00A | 0.529412 | 0.921053 |
65 | AMP MG | 0.528302 | 0.943662 |
66 | ANP | 0.526316 | 0.906667 |
67 | NJP | 0.526316 | 0.959459 |
68 | ACQ | 0.526316 | 0.906667 |
69 | OAD | 0.525 | 0.932432 |
70 | ADX | 0.522523 | 0.839506 |
71 | 8LE | 0.521739 | 0.907895 |
72 | 5AL | 0.521739 | 0.945205 |
73 | A1R | 0.521008 | 0.871795 |
74 | 9SN | 0.520325 | 0.909091 |
75 | A | 0.518868 | 0.930556 |
76 | AMP | 0.518868 | 0.930556 |
77 | 50T | 0.517857 | 0.893333 |
78 | ATF | 0.517241 | 0.894737 |
79 | 3OD | 0.516393 | 0.932432 |
80 | 1ZZ | 0.516393 | 0.851852 |
81 | SON | 0.513514 | 0.92 |
82 | PRX | 0.513274 | 0.881579 |
83 | SRP | 0.512821 | 0.92 |
84 | 8LH | 0.512821 | 0.92 |
85 | 6YZ | 0.512821 | 0.906667 |
86 | 3UK | 0.512397 | 0.958904 |
87 | 9X8 | 0.512397 | 0.883117 |
88 | ADP BMA | 0.512397 | 0.932432 |
89 | MYR AMP | 0.512195 | 0.851852 |
90 | NAJ PZO | 0.510949 | 0.909091 |
91 | NMN | 0.509434 | 0.875 |
92 | HQG | 0.508475 | 0.918919 |
93 | A3R | 0.508333 | 0.871795 |
94 | B5V | 0.508197 | 0.945946 |
95 | AMP DBH | 0.507937 | 0.906667 |
96 | A22 | 0.504202 | 0.945205 |
97 | JNT | 0.504132 | 0.906667 |
98 | FA5 | 0.504 | 0.945946 |
99 | ATP A | 0.504 | 0.971831 |
100 | ATP A A A | 0.504 | 0.971831 |
101 | B5M | 0.504 | 0.933333 |
102 | 8QN | 0.5 | 0.945205 |
103 | NAX | 0.496183 | 0.886076 |
104 | PR8 | 0.495935 | 0.8625 |
105 | ADQ | 0.495868 | 0.932432 |
106 | AMO | 0.495868 | 0.92 |
107 | 4AD | 0.495868 | 0.933333 |
108 | PAJ | 0.495868 | 0.873418 |
109 | V2G | 0.495726 | 0.884615 |
110 | APC MG | 0.495652 | 0.931507 |
111 | A12 | 0.495495 | 0.894737 |
112 | AP2 | 0.495495 | 0.894737 |
113 | ALF ADP 3PG | 0.492424 | 0.873418 |
114 | AHZ | 0.492308 | 0.851852 |
115 | FYA | 0.491935 | 0.918919 |
116 | AHX | 0.491803 | 0.884615 |
117 | 4UU | 0.488372 | 0.933333 |
118 | 5SV | 0.487603 | 0.8375 |
119 | T99 | 0.487179 | 0.894737 |
120 | TAT | 0.487179 | 0.894737 |
121 | APC | 0.486957 | 0.894737 |
122 | SRA | 0.486239 | 0.881579 |
123 | 6V0 | 0.484848 | 0.909091 |
124 | NAI | 0.484848 | 0.921053 |
125 | GTA | 0.484615 | 0.898734 |
126 | LAD | 0.483871 | 0.873418 |
127 | AU1 | 0.482456 | 0.906667 |
128 | F2R | 0.481752 | 0.831325 |
129 | TXE | 0.481203 | 0.921053 |
130 | OMR | 0.481203 | 0.841463 |
131 | AF3 ADP 3PG | 0.481203 | 0.873418 |
132 | LAQ | 0.480916 | 0.851852 |
133 | G3A | 0.48062 | 0.909091 |
134 | B5Y | 0.480315 | 0.933333 |
135 | NB8 | 0.48 | 0.884615 |
136 | TXA | 0.48 | 0.92 |
137 | BIS | 0.48 | 0.871795 |
138 | PTJ | 0.48 | 0.884615 |
139 | ME8 | 0.48 | 0.851852 |
140 | 139 | 0.477941 | 0.886076 |
141 | LPA AMP | 0.477273 | 0.851852 |
142 | G5P | 0.476923 | 0.909091 |
143 | AFH | 0.476923 | 0.873418 |
144 | AR6 AR6 | 0.476923 | 0.958333 |
145 | ARG AMP | 0.476923 | 0.841463 |
146 | 25L | 0.47619 | 0.945205 |
147 | NAJ PYZ | 0.475524 | 0.864198 |
148 | 9ZA | 0.47541 | 0.896104 |
149 | 9ZD | 0.47541 | 0.896104 |
150 | OZV | 0.47541 | 0.931507 |
151 | 25A | 0.47541 | 0.958333 |
152 | DZD | 0.47482 | 0.897436 |
153 | TXD | 0.473684 | 0.921053 |
154 | 4UV | 0.472868 | 0.933333 |
155 | TYM | 0.470149 | 0.945946 |
156 | ADV | 0.470085 | 0.894737 |
157 | RBY | 0.470085 | 0.894737 |
158 | A7R | 0.469231 | 0.857143 |
159 | KMQ | 0.46875 | 0.894737 |
160 | 4TA | 0.467626 | 0.864198 |
161 | 48N | 0.466165 | 0.884615 |
162 | XAH | 0.465116 | 0.851852 |
163 | 4UW | 0.462687 | 0.897436 |
164 | M24 | 0.461538 | 0.886076 |
165 | 80F | 0.460993 | 0.853659 |
166 | IOT | 0.459854 | 0.821429 |
167 | T5A | 0.456522 | 0.853659 |
168 | L3W | 0.455882 | 0.92 |
169 | EAD | 0.455782 | 0.886076 |
170 | MAP | 0.455285 | 0.883117 |
171 | GA7 | 0.454545 | 0.894737 |
172 | BT5 | 0.453901 | 0.821429 |
173 | A4P | 0.452555 | 0.833333 |
174 | UP5 | 0.451852 | 0.933333 |
175 | PAP | 0.445378 | 0.917808 |
176 | AP0 | 0.445255 | 0.884615 |
177 | 4TC | 0.445255 | 0.909091 |
178 | YLP | 0.444444 | 0.831325 |
179 | P1H | 0.443709 | 0.864198 |
180 | AOC | 0.442478 | 0.810811 |
181 | Z5A | 0.439189 | 0.833333 |
182 | LMS | 0.4375 | 0.817073 |
183 | 2A5 | 0.436975 | 0.857143 |
184 | COD | 0.43662 | 0.802326 |
185 | ADJ | 0.435714 | 0.841463 |
186 | YLC | 0.434783 | 0.851852 |
187 | YLB | 0.434783 | 0.831325 |
188 | ATR | 0.433333 | 0.90411 |
189 | 7MD | 0.432836 | 0.851852 |
190 | 8X1 | 0.432 | 0.764045 |
191 | G5A | 0.429752 | 0.790698 |
192 | PO4 PO4 A A A A PO4 | 0.429688 | 0.943662 |
193 | TAD | 0.42963 | 0.873418 |
194 | D4F | 0.428571 | 0.875 |
195 | 5AS | 0.42735 | 0.770115 |
196 | BTX | 0.426573 | 0.831325 |
197 | YLA | 0.425532 | 0.831325 |
198 | DSZ | 0.425197 | 0.790698 |
199 | NCN | 0.424779 | 0.805556 |
200 | UPA | 0.42446 | 0.921053 |
201 | 8PZ | 0.424242 | 0.811765 |
202 | VMS | 0.424 | 0.8 |
203 | 54H | 0.424 | 0.8 |
204 | 9K8 | 0.423077 | 0.744444 |
205 | N0B | 0.422819 | 0.853659 |
206 | 6AD | 0.422764 | 0.85 |
207 | AYB | 0.422535 | 0.821429 |
208 | 7D3 | 0.422414 | 0.844156 |
209 | YLY | 0.421769 | 0.821429 |
210 | TSB | 0.420635 | 0.809524 |
211 | ODP | 0.41958 | 0.922078 |
212 | A5A | 0.419355 | 0.819277 |
213 | FB0 | 0.419355 | 0.775281 |
214 | AV2 | 0.419355 | 0.855263 |
215 | NNR | 0.419048 | 0.739726 |
216 | LEU LMS | 0.418605 | 0.761364 |
217 | 649 | 0.417266 | 0.775281 |
218 | H1Q | 0.416667 | 0.917808 |
219 | NMN AMP PO4 | 0.416667 | 0.933333 |
220 | SSA | 0.416 | 0.790698 |
221 | P5A | 0.415385 | 0.755556 |
222 | LSS | 0.414062 | 0.772727 |
223 | 52H | 0.412698 | 0.790698 |
224 | A2R | 0.412698 | 0.918919 |
225 | JB6 | 0.412214 | 0.896104 |
226 | 5N5 | 0.411215 | 0.783784 |
227 | YSA | 0.410448 | 0.811765 |
228 | B1U | 0.410448 | 0.786517 |
229 | 53H | 0.409449 | 0.790698 |
230 | 5CA | 0.409449 | 0.790698 |
231 | ITT | 0.408333 | 0.878378 |
232 | 7D4 | 0.408333 | 0.844156 |
233 | NA7 | 0.407692 | 0.894737 |
234 | 5CD | 0.407407 | 0.794521 |
235 | 0WD | 0.406897 | 0.909091 |
236 | A3P | 0.40678 | 0.930556 |
237 | HFD | 0.406504 | 0.883117 |
238 | JSQ | 0.406504 | 0.883117 |
239 | AVV | 0.40625 | 0.860759 |
240 | RAB | 0.40566 | 0.808219 |
241 | XYA | 0.40566 | 0.808219 |
242 | ADN | 0.40566 | 0.808219 |
243 | FDA | 0.405063 | 0.823529 |
244 | CUU | 0.404959 | 0.905405 |
245 | V47 | 0.404762 | 0.821918 |
246 | GSU | 0.40458 | 0.790698 |
247 | 7MC | 0.404255 | 0.831325 |
248 | NSS | 0.403101 | 0.811765 |
249 | 6FA | 0.402516 | 0.853659 |
250 | PPS | 0.4 | 0.817073 |
251 | NVA LMS | 0.4 | 0.784091 |
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 |