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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 27 families. | |||||
1 | 4QPL | Kd = 39 nM | V3L | 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 21 families. | |||||
1 | 4QPL | Kd = 39 nM | V3L | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | V3L | 1 | 1 |
2 | AR6 AR6 | 0.705263 | 0.944444 |
3 | A2P | 0.7 | 0.957143 |
4 | A | 0.6375 | 0.971429 |
5 | AMP | 0.6375 | 0.971429 |
6 | 25A | 0.612903 | 0.971831 |
7 | ATR | 0.595506 | 0.943662 |
8 | 7D5 | 0.580247 | 0.878378 |
9 | A2R | 0.574468 | 0.985915 |
10 | 2AM | 0.573171 | 0.916667 |
11 | A22 | 0.568421 | 0.958333 |
12 | A3P | 0.563218 | 0.971429 |
13 | HQG | 0.557895 | 0.985915 |
14 | OVE | 0.552941 | 0.88 |
15 | AN2 | 0.550562 | 0.958333 |
16 | 45A | 0.54023 | 0.917808 |
17 | ABM | 0.54023 | 0.917808 |
18 | A2D | 0.54023 | 0.944444 |
19 | ADP | 0.539326 | 0.971831 |
20 | AMP MG | 0.534884 | 0.929577 |
21 | NA7 | 0.53 | 0.932432 |
22 | 25L | 0.529412 | 0.958333 |
23 | BA3 | 0.52809 | 0.944444 |
24 | A12 | 0.52809 | 0.932432 |
25 | AP2 | 0.52809 | 0.932432 |
26 | ADQ | 0.525253 | 0.945205 |
27 | AP5 | 0.522222 | 0.944444 |
28 | B4P | 0.522222 | 0.944444 |
29 | HEJ | 0.521739 | 0.971831 |
30 | ATP | 0.521739 | 0.971831 |
31 | SRA | 0.517241 | 0.918919 |
32 | AT4 | 0.516484 | 0.932432 |
33 | APC | 0.516129 | 0.932432 |
34 | AQP | 0.516129 | 0.971831 |
35 | 2A5 | 0.516129 | 0.893333 |
36 | 5FA | 0.516129 | 0.971831 |
37 | 3AM | 0.511628 | 0.929577 |
38 | AU1 | 0.51087 | 0.945205 |
39 | ADX | 0.51087 | 0.85 |
40 | M33 | 0.51087 | 0.931507 |
41 | CA0 | 0.51087 | 0.945205 |
42 | AGS | 0.510638 | 0.92 |
43 | XYA | 0.506329 | 0.819444 |
44 | RAB | 0.506329 | 0.819444 |
45 | ADN | 0.506329 | 0.819444 |
46 | 50T | 0.505376 | 0.931507 |
47 | ACP | 0.505376 | 0.945205 |
48 | KG4 | 0.505376 | 0.945205 |
49 | PRX | 0.5 | 0.893333 |
50 | AR6 | 0.5 | 0.971831 |
51 | ADP BMA | 0.5 | 0.918919 |
52 | T99 | 0.5 | 0.932432 |
53 | ADP BEF | 0.5 | 0.943662 |
54 | TAT | 0.5 | 0.932432 |
55 | APR | 0.5 | 0.971831 |
56 | ADP MG | 0.5 | 0.943662 |
57 | PO4 PO4 A A A A PO4 | 0.5 | 0.902778 |
58 | ACQ | 0.5 | 0.945205 |
59 | 7D3 | 0.5 | 0.88 |
60 | 8LE | 0.494845 | 0.92 |
61 | ADV | 0.494737 | 0.932432 |
62 | AD9 | 0.494737 | 0.945205 |
63 | PAP | 0.494737 | 0.957747 |
64 | RBY | 0.494737 | 0.932432 |
65 | 7D4 | 0.494624 | 0.88 |
66 | ATF | 0.489796 | 0.932432 |
67 | 6YZ | 0.484848 | 0.945205 |
68 | ANP | 0.484536 | 0.945205 |
69 | SON | 0.483871 | 0.958904 |
70 | J4G | 0.480769 | 0.945946 |
71 | 5AL | 0.479592 | 0.958333 |
72 | PPS | 0.479592 | 0.85 |
73 | V2G | 0.479592 | 0.921053 |
74 | ADP PO3 | 0.479167 | 0.943662 |
75 | ATP MG | 0.479167 | 0.943662 |
76 | APC MG | 0.479167 | 0.917808 |
77 | DA | 0.477778 | 0.878378 |
78 | D5M | 0.477778 | 0.878378 |
79 | PTJ | 0.47619 | 0.921053 |
80 | 5N5 | 0.47561 | 0.794521 |
81 | VO4 ADP | 0.474747 | 0.945205 |
82 | BEF ADP | 0.474227 | 0.917808 |
83 | LMS | 0.47191 | 0.82716 |
84 | OAD | 0.471154 | 0.945205 |
85 | 9X8 | 0.471154 | 0.92 |
86 | 9ZD | 0.470588 | 0.933333 |
87 | OOB | 0.470588 | 0.958333 |
88 | 9ZA | 0.470588 | 0.933333 |
89 | 5SV | 0.470588 | 0.848101 |
90 | 8LH | 0.47 | 0.932432 |
91 | SRP | 0.47 | 0.932432 |
92 | GAP | 0.469388 | 0.918919 |
93 | ODP | 0.466102 | 0.884615 |
94 | PAJ | 0.466019 | 0.884615 |
95 | 4AD | 0.466019 | 0.92 |
96 | A3R | 0.466019 | 0.883117 |
97 | KMQ | 0.462963 | 0.932432 |
98 | FYA | 0.462264 | 0.905405 |
99 | NPW | 0.461538 | 0.8625 |
100 | NDP | 0.461538 | 0.896104 |
101 | DLL | 0.461538 | 0.958333 |
102 | MAP | 0.460784 | 0.92 |
103 | QA7 | 0.460784 | 0.92 |
104 | 8LQ | 0.460784 | 0.932432 |
105 | ANP MG | 0.46 | 0.931507 |
106 | AV2 | 0.46 | 0.891892 |
107 | ALF ADP | 0.46 | 0.87013 |
108 | TXP | 0.457627 | 0.896104 |
109 | NZQ | 0.457627 | 0.884615 |
110 | 5AS | 0.457447 | 0.77907 |
111 | 3UK | 0.457143 | 0.945205 |
112 | 7D7 | 0.45679 | 0.743243 |
113 | OZV | 0.456311 | 0.944444 |
114 | 8QN | 0.456311 | 0.958333 |
115 | NJP | 0.453782 | 0.92 |
116 | EP4 | 0.453488 | 0.753247 |
117 | LAD | 0.45283 | 0.884615 |
118 | B5V | 0.45283 | 0.932432 |
119 | A4D | 0.452381 | 0.794521 |
120 | 5CD | 0.452381 | 0.805556 |
121 | A1R | 0.451923 | 0.883117 |
122 | AMO | 0.451923 | 0.932432 |
123 | XNP | 0.45 | 0.85 |
124 | BIS | 0.448598 | 0.907895 |
125 | 3OD | 0.448598 | 0.945205 |
126 | TXA | 0.448598 | 0.932432 |
127 | ME8 | 0.448598 | 0.8625 |
128 | 1ZZ | 0.448598 | 0.8625 |
129 | DTA | 0.448276 | 0.786667 |
130 | 00A | 0.447619 | 0.907895 |
131 | AHX | 0.447619 | 0.871795 |
132 | JNT | 0.447619 | 0.918919 |
133 | DAL AMP | 0.446602 | 0.931507 |
134 | A3G | 0.445652 | 0.776316 |
135 | AOC | 0.445652 | 0.821918 |
136 | DSH | 0.445652 | 0.725 |
137 | G5A | 0.444444 | 0.77907 |
138 | 5X8 | 0.443299 | 0.786667 |
139 | CUU | 0.443299 | 0.944444 |
140 | MTA | 0.443182 | 0.773333 |
141 | 3AT | 0.44 | 0.944444 |
142 | PR8 | 0.439252 | 0.873418 |
143 | WAQ | 0.439252 | 0.907895 |
144 | FA5 | 0.436364 | 0.932432 |
145 | NB8 | 0.435185 | 0.896104 |
146 | JB6 | 0.435185 | 0.883117 |
147 | 6RE | 0.434783 | 0.759494 |
148 | 3DH | 0.433333 | 0.773333 |
149 | XAH | 0.432432 | 0.839506 |
150 | M2T | 0.431818 | 0.734177 |
151 | MYR AMP | 0.431193 | 0.839506 |
152 | TM1 | 0.431193 | 0.795181 |
153 | VRT | 0.43 | 0.746835 |
154 | DAT | 0.428571 | 0.88 |
155 | 2VA | 0.428571 | 0.776316 |
156 | 4UV | 0.428571 | 0.92 |
157 | OMR | 0.42735 | 0.851852 |
158 | 9SN | 0.427273 | 0.896104 |
159 | KL2 | 0.426966 | 0.837838 |
160 | NMN AMP PO4 | 0.42623 | 0.87013 |
161 | LAQ | 0.426087 | 0.8625 |
162 | DTP | 0.425743 | 0.88 |
163 | IMO | 0.425532 | 0.929577 |
164 | G3A | 0.424779 | 0.896104 |
165 | ZAS | 0.423913 | 0.766234 |
166 | UPA | 0.423729 | 0.883117 |
167 | ATP A | 0.423423 | 0.930556 |
168 | B5M | 0.423423 | 0.92 |
169 | ATP A A A | 0.423423 | 0.930556 |
170 | B5Y | 0.423423 | 0.92 |
171 | A3S | 0.42268 | 0.786667 |
172 | NAP | 0.421875 | 0.945205 |
173 | AFH | 0.421053 | 0.884615 |
174 | 6MZ | 0.421053 | 0.930556 |
175 | 7MD | 0.421053 | 0.8625 |
176 | G5P | 0.421053 | 0.896104 |
177 | S4M | 0.421053 | 0.666667 |
178 | ARG AMP | 0.421053 | 0.851852 |
179 | NVA 2AD | 0.42 | 0.7375 |
180 | LQJ | 0.419643 | 0.917808 |
181 | 101 | 0.419355 | 0.878378 |
182 | GGZ | 0.419048 | 0.802469 |
183 | TSB | 0.419048 | 0.797619 |
184 | TAP | 0.418605 | 0.907895 |
185 | 1DG | 0.418605 | 0.896104 |
186 | NWW | 0.418605 | 0.736111 |
187 | DG1 | 0.418605 | 0.896104 |
188 | A5A | 0.417476 | 0.807229 |
189 | TAD | 0.417391 | 0.860759 |
190 | 71V | 0.416667 | 0.883117 |
191 | MAO | 0.416667 | 0.759036 |
192 | N01 | 0.416 | 0.905405 |
193 | AMP DBH | 0.415929 | 0.893333 |
194 | SO8 | 0.415842 | 0.766234 |
195 | NA0 | 0.415385 | 0.932432 |
196 | TYM | 0.415254 | 0.932432 |
197 | H1Q | 0.414141 | 0.90411 |
198 | SSA | 0.413462 | 0.77907 |
199 | LSS | 0.411215 | 0.761364 |
200 | NSS | 0.411215 | 0.77907 |
201 | J7C | 0.410526 | 0.769231 |
202 | LPA AMP | 0.410256 | 0.839506 |
203 | 5AD | 0.409639 | 0.746479 |
204 | VMS | 0.409524 | 0.788235 |
205 | 52H | 0.409524 | 0.77907 |
206 | 54H | 0.409524 | 0.788235 |
207 | 4UU | 0.408696 | 0.92 |
208 | GA7 | 0.408696 | 0.881579 |
209 | ANZ | 0.408696 | 0.8 |
210 | ACK | 0.408602 | 0.861111 |
211 | QQY | 0.408602 | 0.815789 |
212 | N6P | 0.407407 | 0.915493 |
213 | B1U | 0.40708 | 0.736264 |
214 | NAX | 0.40678 | 0.85 |
215 | 6V0 | 0.40678 | 0.871795 |
216 | 4UW | 0.40678 | 0.884615 |
217 | AMZ | 0.406593 | 0.890411 |
218 | C2R | 0.406593 | 0.90411 |
219 | 8BR | 0.40625 | 0.906667 |
220 | GJV | 0.40625 | 0.75 |
221 | A5D | 0.405941 | 0.786667 |
222 | 5CA | 0.40566 | 0.77907 |
223 | 8X1 | 0.40566 | 0.752809 |
224 | 53H | 0.40566 | 0.77907 |
225 | DQV | 0.405172 | 0.931507 |
226 | GTA | 0.405172 | 0.8625 |
227 | 7L1 | 0.40458 | 0.775281 |
228 | V1N | 0.403509 | 0.944444 |
229 | 3AD | 0.402299 | 0.805556 |
230 | CO7 | 0.40146 | 0.784091 |
231 | KAA | 0.4 | 0.752809 |
232 | YLC | 0.4 | 0.8625 |
233 | AP0 | 0.4 | 0.871795 |
234 | L3W | 0.4 | 0.906667 |
235 | P5A | 0.4 | 0.744444 |
236 | SFG | 0.4 | 0.773333 |
237 | 7MC | 0.4 | 0.841463 |
238 | A3T | 0.4 | 0.797297 |
239 | NEC | 0.4 | 0.723684 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4qpl.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4qpl.bio2) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |