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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 2 families. | |||||
1 | 3V7Y | - | A3N | C13 H16 N6 O3 | C#CCNC[C@@.... |
2 | 2Q5F | Ki = 0.02 mM | DTA | C20 H24 N10 O6 S2 | c1nc(c2c(n.... |
3 | 6RGD | - | K2W | C24 H29 N11 O7 | c1nc(c2c(n.... |
4 | 3V8M | - | Z8B | C10 H11 Br N8 O3 | c1nc(c2c(n.... |
5 | 6RC5 | - | JYB | C9 H9 N5 | CCn1c(nc2c.... |
6 | 6RBX | - | JYT | C8 H10 Br N5 O | c1nc(c2c(n.... |
7 | 3V8P | - | ZNB | C22 H26 Br N14 O7 S | c1nc(c2c(n.... |
8 | 3V7W | - | ZAS | C10 H13 N8 O3 | c1nc(c2c(n.... |
9 | 6RBO | - | JXQ | C11 H13 N5 | C#CCCCCn1c.... |
10 | 4DY6 | - | A22 | C20 H27 N10 O16 P3 | c1nc(c2c(n.... |
11 | 6RR2 | - | MTA | C11 H15 N5 O3 S | CSC[C@@H]1.... |
12 | 3V80 | - | AOC | C13 H15 N5 O4 | C#CCOC[C@@.... |
13 | 2I2A | Ki = 0.04 mM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
14 | 6RG8 | - | K2K | C19 H21 N11 O3 | c1nc(c2c(n.... |
15 | 6RBV | - | JYE | C8 H9 Br N8 | c1nc(c2c(n.... |
16 | 2I2D | - | A2D | C20 H26 N10 O13 P2 | c1nc(c2c(n.... |
17 | 6RGB | - | K38 | C23 H27 N11 O7 | c1nc(c2c(n.... |
18 | 5DHQ | Ki = 2 uM | 5AK | C20 H23 Br N6 O5 S | c1cc(cc(c1.... |
19 | 3V8R | - | 5NB | C10 H13 Br N6 O3 | c1nc(c2c(n.... |
20 | 2I2C | Ki = 0.02 mM | DTA | C20 H24 N10 O6 S2 | c1nc(c2c(n.... |
21 | 6RGC | - | K3H | C24 H29 N11 O7 | CN(CC#Cc1n.... |
22 | 6RBU | - | JYK | C7 H7 Br N8 | c1nc(c2c(n.... |
23 | 2I2F | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
24 | 6RBY | - | JYW | C9 H12 Br N5 O | c1nc(c2c(n.... |
25 | 2I29 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
26 | 6RC3 | - | JXW | C8 H10 Cl N5 | Cc1nc2c(nc.... |
27 | 3V8Q | - | 5N5 | C10 H14 N6 O3 | c1nc(c2c(n.... |
28 | 6RBP | - | JYN | C9 H12 N8 | c1nc(c2c(n.... |
29 | 6RC4 | - | JXZ | C8 H11 N5 O | Cc1nc2c(nc.... |
30 | 6RBS | - | JXT | C10 H10 Br N5 | C#CCCCn1c2.... |
31 | 6RBR | - | JXN | C7 H8 Br N5 | CCn1c2c(c(.... |
32 | 6RG9 | - | K3K | C23 H26 N10 O8 | c1nc(c2c(n.... |
33 | 2I2B | - | CC5 | C9 H11 N5 O3 | c1nc(c2c(n.... |
34 | 5DHR | Ki = 23 uM | 5AJ | C21 H23 N11 O4 S | c1ccc2c(c1.... |
35 | 6RGA | - | K3E | C23 H27 N11 O7 | c1nc(c2c(n.... |
36 | 6RBW | - | JXB | C9 H11 Br N8 | c1nc(c2c(n.... |
37 | 6RBQ | - | JYQ | C11 H15 N5 O S | CC(=O)SCCC.... |
38 | 6RBZ | - | JXK | C8 H11 Br N6 | c1nc(c2c(n.... |
39 | 3V8N | - | 5NB | C10 H13 Br N6 O3 | c1nc(c2c(n.... |
40 | 5DHP | Ki = 140 uM | 5AQ | C20 H24 N6 O5 S | c1ccc(cc1).... |
41 | 6RC2 | - | JY2 | C11 H13 N5 | Cc1nc2c(nc.... |
42 | 6RG7 | - | K2H | C19 H21 N11 O3 | CN(CC#Cc1[.... |
43 | 5DHU | Ki = 0.5 uM | 5A8 | C22 H24 N10 O4 S | c1ccc2c(c1.... |
44 | 6RC6 | - | JY5 | C13 H15 N5 O2 | c1nc(c2c(n.... |
45 | 3V7U | - | MTA | C11 H15 N5 O3 S | CSC[C@@H]1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 3V7Y | - | A3N | C13 H16 N6 O3 | C#CCNC[C@@.... |
2 | 2Q5F | Ki = 0.02 mM | DTA | C20 H24 N10 O6 S2 | c1nc(c2c(n.... |
3 | 6RGD | - | K2W | C24 H29 N11 O7 | c1nc(c2c(n.... |
4 | 3V8M | - | Z8B | C10 H11 Br N8 O3 | c1nc(c2c(n.... |
5 | 6RC5 | - | JYB | C9 H9 N5 | CCn1c(nc2c.... |
6 | 6RBX | - | JYT | C8 H10 Br N5 O | c1nc(c2c(n.... |
7 | 3V8P | - | ZNB | C22 H26 Br N14 O7 S | c1nc(c2c(n.... |
8 | 3V7W | - | ZAS | C10 H13 N8 O3 | c1nc(c2c(n.... |
9 | 6RBO | - | JXQ | C11 H13 N5 | C#CCCCCn1c.... |
10 | 4DY6 | - | A22 | C20 H27 N10 O16 P3 | c1nc(c2c(n.... |
11 | 6RR2 | - | MTA | C11 H15 N5 O3 S | CSC[C@@H]1.... |
12 | 3V80 | - | AOC | C13 H15 N5 O4 | C#CCOC[C@@.... |
13 | 2I2A | Ki = 0.04 mM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
14 | 6RG8 | - | K2K | C19 H21 N11 O3 | c1nc(c2c(n.... |
15 | 6RBV | - | JYE | C8 H9 Br N8 | c1nc(c2c(n.... |
16 | 2I2D | - | A2D | C20 H26 N10 O13 P2 | c1nc(c2c(n.... |
17 | 6RGB | - | K38 | C23 H27 N11 O7 | c1nc(c2c(n.... |
18 | 5DHQ | Ki = 2 uM | 5AK | C20 H23 Br N6 O5 S | c1cc(cc(c1.... |
19 | 3V8R | - | 5NB | C10 H13 Br N6 O3 | c1nc(c2c(n.... |
20 | 2I2C | Ki = 0.02 mM | DTA | C20 H24 N10 O6 S2 | c1nc(c2c(n.... |
21 | 6RGC | - | K3H | C24 H29 N11 O7 | CN(CC#Cc1n.... |
22 | 6RBU | - | JYK | C7 H7 Br N8 | c1nc(c2c(n.... |
23 | 2I2F | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
24 | 6RBY | - | JYW | C9 H12 Br N5 O | c1nc(c2c(n.... |
25 | 2I29 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
26 | 6RC3 | - | JXW | C8 H10 Cl N5 | Cc1nc2c(nc.... |
27 | 3V8Q | - | 5N5 | C10 H14 N6 O3 | c1nc(c2c(n.... |
28 | 6RBP | - | JYN | C9 H12 N8 | c1nc(c2c(n.... |
29 | 6RC4 | - | JXZ | C8 H11 N5 O | Cc1nc2c(nc.... |
30 | 6RBS | - | JXT | C10 H10 Br N5 | C#CCCCn1c2.... |
31 | 6RBR | - | JXN | C7 H8 Br N5 | CCn1c2c(c(.... |
32 | 6RG9 | - | K3K | C23 H26 N10 O8 | c1nc(c2c(n.... |
33 | 2I2B | - | CC5 | C9 H11 N5 O3 | c1nc(c2c(n.... |
34 | 5DHR | Ki = 23 uM | 5AJ | C21 H23 N11 O4 S | c1ccc2c(c1.... |
35 | 6RGA | - | K3E | C23 H27 N11 O7 | c1nc(c2c(n.... |
36 | 6RBW | - | JXB | C9 H11 Br N8 | c1nc(c2c(n.... |
37 | 6RBQ | - | JYQ | C11 H15 N5 O S | CC(=O)SCCC.... |
38 | 6RBZ | - | JXK | C8 H11 Br N6 | c1nc(c2c(n.... |
39 | 3V8N | - | 5NB | C10 H13 Br N6 O3 | c1nc(c2c(n.... |
40 | 5DHP | Ki = 140 uM | 5AQ | C20 H24 N6 O5 S | c1ccc(cc1).... |
41 | 6RC2 | - | JY2 | C11 H13 N5 | Cc1nc2c(nc.... |
42 | 6RG7 | - | K2H | C19 H21 N11 O3 | CN(CC#Cc1[.... |
43 | 5DHU | Ki = 0.5 uM | 5A8 | C22 H24 N10 O4 S | c1ccc2c(c1.... |
44 | 6RC6 | - | JY5 | C13 H15 N5 O2 | c1nc(c2c(n.... |
45 | 3V7U | - | MTA | C11 H15 N5 O3 S | CSC[C@@H]1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | A22 | 1 | 1 |
2 | A2R | 0.821429 | 0.972222 |
3 | ATR | 0.814815 | 0.957747 |
4 | 25L | 0.808989 | 1 |
5 | A2D | 0.805195 | 0.985915 |
6 | 25A | 0.802326 | 0.985915 |
7 | A2P | 0.7625 | 0.943662 |
8 | BA3 | 0.7625 | 0.985915 |
9 | NA7 | 0.755556 | 0.945946 |
10 | B4P | 0.753086 | 0.985915 |
11 | AP5 | 0.753086 | 0.985915 |
12 | ADP | 0.753086 | 0.985915 |
13 | AGS | 0.75 | 0.933333 |
14 | HEJ | 0.746988 | 0.985915 |
15 | ATP | 0.746988 | 0.985915 |
16 | AN2 | 0.743902 | 0.972222 |
17 | HQG | 0.738636 | 0.972222 |
18 | APR | 0.738095 | 0.958333 |
19 | AR6 | 0.738095 | 0.958333 |
20 | 5FA | 0.738095 | 0.985915 |
21 | AQP | 0.738095 | 0.985915 |
22 | AT4 | 0.722892 | 0.945946 |
23 | M33 | 0.714286 | 0.945205 |
24 | AD9 | 0.709302 | 0.958904 |
25 | ACP | 0.705882 | 0.958904 |
26 | AMP | 0.7 | 0.957747 |
27 | A | 0.7 | 0.957747 |
28 | ADQ | 0.695652 | 0.958904 |
29 | ACQ | 0.693182 | 0.958904 |
30 | OAD | 0.680851 | 0.932432 |
31 | 9X8 | 0.680851 | 0.907895 |
32 | 2AM | 0.675 | 0.930556 |
33 | CA0 | 0.674419 | 0.932432 |
34 | ADX | 0.674419 | 0.8625 |
35 | ANP | 0.674157 | 0.958904 |
36 | 6YZ | 0.67033 | 0.958904 |
37 | 50T | 0.666667 | 0.945205 |
38 | KG4 | 0.666667 | 0.932432 |
39 | NJP | 0.663551 | 0.959459 |
40 | KMQ | 0.663265 | 0.92 |
41 | A1R | 0.659574 | 0.896104 |
42 | A3R | 0.659574 | 0.896104 |
43 | ATF | 0.659341 | 0.945946 |
44 | PRX | 0.659091 | 0.881579 |
45 | ABM | 0.654762 | 0.905405 |
46 | 45A | 0.654762 | 0.905405 |
47 | JNT | 0.652632 | 0.932432 |
48 | AMP MG | 0.650602 | 0.916667 |
49 | SRA | 0.650602 | 0.906667 |
50 | 3OD | 0.649485 | 0.932432 |
51 | BIS | 0.649485 | 0.921053 |
52 | ODP | 0.648148 | 0.922078 |
53 | NPW | 0.64486 | 0.898734 |
54 | NDP | 0.64486 | 0.934211 |
55 | APC | 0.640449 | 0.945946 |
56 | A12 | 0.639535 | 0.945946 |
57 | AP2 | 0.639535 | 0.945946 |
58 | NZQ | 0.638889 | 0.922078 |
59 | TXP | 0.638889 | 0.934211 |
60 | TAT | 0.637363 | 0.945946 |
61 | T99 | 0.637363 | 0.945946 |
62 | 5AL | 0.630435 | 0.918919 |
63 | 8LE | 0.630435 | 0.883117 |
64 | ADP MG | 0.625 | 0.930556 |
65 | ADP BEF | 0.625 | 0.930556 |
66 | 00A | 0.618557 | 0.896104 |
67 | AU1 | 0.617977 | 0.958904 |
68 | 8LH | 0.617021 | 0.894737 |
69 | SRP | 0.617021 | 0.894737 |
70 | PAP | 0.615385 | 0.971831 |
71 | 5SV | 0.614583 | 0.8375 |
72 | XNP | 0.612613 | 0.886076 |
73 | 4AD | 0.608247 | 0.907895 |
74 | OMR | 0.607477 | 0.841463 |
75 | QA7 | 0.604167 | 0.883117 |
76 | 8LQ | 0.604167 | 0.894737 |
77 | NAX | 0.598131 | 0.886076 |
78 | NAI | 0.598131 | 0.921053 |
79 | OZV | 0.597938 | 0.958333 |
80 | 8QN | 0.597938 | 0.918919 |
81 | OOB | 0.597938 | 0.945205 |
82 | ATP MG | 0.597826 | 0.930556 |
83 | RBY | 0.597826 | 0.92 |
84 | ADV | 0.597826 | 0.92 |
85 | APC MG | 0.597826 | 0.905405 |
86 | ADP PO3 | 0.597826 | 0.930556 |
87 | AMO | 0.591837 | 0.92 |
88 | PAJ | 0.591837 | 0.873418 |
89 | BEF ADP | 0.591398 | 0.905405 |
90 | AFH | 0.590476 | 0.897436 |
91 | 48N | 0.588785 | 0.884615 |
92 | AP0 | 0.587156 | 0.909091 |
93 | AHX | 0.585859 | 0.884615 |
94 | DLL | 0.585859 | 0.945205 |
95 | DQV | 0.584906 | 0.972222 |
96 | A3P | 0.58427 | 0.957747 |
97 | 1ZZ | 0.584158 | 0.829268 |
98 | PTJ | 0.584158 | 0.884615 |
99 | FYA | 0.584158 | 0.918919 |
100 | TXD | 0.583333 | 0.921053 |
101 | 6V0 | 0.583333 | 0.909091 |
102 | LMS | 0.581395 | 0.817073 |
103 | G3A | 0.580952 | 0.934211 |
104 | ADP BMA | 0.58 | 0.932432 |
105 | 3UK | 0.58 | 0.932432 |
106 | DG1 | 0.579832 | 0.934211 |
107 | 1DG | 0.579832 | 0.934211 |
108 | V2G | 0.578947 | 0.884615 |
109 | TXE | 0.577982 | 0.921053 |
110 | AR6 AR6 | 0.575472 | 0.931507 |
111 | G5P | 0.575472 | 0.934211 |
112 | OVE | 0.574713 | 0.893333 |
113 | PR8 | 0.574257 | 0.839506 |
114 | WAQ | 0.574257 | 0.871795 |
115 | LAD | 0.574257 | 0.85 |
116 | B5V | 0.574257 | 0.92 |
117 | ANP MG | 0.572917 | 0.918919 |
118 | ALF ADP | 0.572917 | 0.858974 |
119 | VO4 ADP | 0.572917 | 0.932432 |
120 | 9SN | 0.572816 | 0.884615 |
121 | UPA | 0.572727 | 0.921053 |
122 | SON | 0.571429 | 0.92 |
123 | NAP | 0.571429 | 0.958904 |
124 | MAP | 0.571429 | 0.933333 |
125 | GTA | 0.570093 | 0.898734 |
126 | 2A5 | 0.569892 | 0.906667 |
127 | 3AM | 0.569767 | 0.916667 |
128 | ADN | 0.56962 | 0.833333 |
129 | RAB | 0.56962 | 0.833333 |
130 | XYA | 0.56962 | 0.833333 |
131 | UP5 | 0.568807 | 0.933333 |
132 | DND | 0.568807 | 0.945946 |
133 | TXA | 0.568627 | 0.92 |
134 | NB8 | 0.568627 | 0.884615 |
135 | ME8 | 0.568627 | 0.829268 |
136 | V3L | 0.568421 | 0.958333 |
137 | GAP | 0.568421 | 0.881579 |
138 | TAP | 0.566667 | 0.921053 |
139 | ITT | 0.565217 | 0.930556 |
140 | PO4 PO4 A A A A PO4 | 0.564356 | 0.916667 |
141 | PPS | 0.5625 | 0.8625 |
142 | 7L1 | 0.561983 | 0.786517 |
143 | NA0 | 0.561983 | 0.945946 |
144 | L3W | 0.558559 | 0.92 |
145 | 139 | 0.557522 | 0.886076 |
146 | ADJ | 0.557522 | 0.864198 |
147 | DAL AMP | 0.555556 | 0.893333 |
148 | FA5 | 0.552381 | 0.92 |
149 | B5M | 0.552381 | 0.907895 |
150 | B5Y | 0.552381 | 0.907895 |
151 | 9ZD | 0.55 | 0.896104 |
152 | 9ZA | 0.55 | 0.896104 |
153 | ENP | 0.54902 | 0.906667 |
154 | 7D4 | 0.548387 | 0.893333 |
155 | F2R | 0.547826 | 0.853659 |
156 | XAH | 0.54717 | 0.829268 |
157 | 80F | 0.547009 | 0.853659 |
158 | 4TC | 0.544643 | 0.909091 |
159 | 5AS | 0.543478 | 0.770115 |
160 | COD | 0.543103 | 0.802326 |
161 | 0WD | 0.543103 | 0.934211 |
162 | 4UV | 0.542056 | 0.907895 |
163 | A4P | 0.539823 | 0.855422 |
164 | CNA | 0.53913 | 0.945946 |
165 | 7D3 | 0.538462 | 0.893333 |
166 | ATP A | 0.537736 | 0.944444 |
167 | ATP A A A | 0.537736 | 0.944444 |
168 | LAQ | 0.536364 | 0.829268 |
169 | AOC | 0.533333 | 0.810811 |
170 | GA7 | 0.53211 | 0.92 |
171 | 4UU | 0.53211 | 0.907895 |
172 | T5A | 0.530435 | 0.853659 |
173 | CO7 | 0.527132 | 0.795455 |
174 | 4UW | 0.526786 | 0.873418 |
175 | HFD | 0.525773 | 0.933333 |
176 | JSQ | 0.525773 | 0.933333 |
177 | JB6 | 0.52381 | 0.896104 |
178 | TYM | 0.522124 | 0.92 |
179 | MYR AMP | 0.518868 | 0.807229 |
180 | 5N5 | 0.518072 | 0.808219 |
181 | YLP | 0.517857 | 0.809524 |
182 | EAD | 0.512 | 0.886076 |
183 | A4D | 0.511905 | 0.808219 |
184 | 5CD | 0.511905 | 0.794521 |
185 | EP4 | 0.511628 | 0.74359 |
186 | 7D5 | 0.511364 | 0.866667 |
187 | G5A | 0.510204 | 0.770115 |
188 | ARG AMP | 0.504505 | 0.819277 |
189 | YLB | 0.504348 | 0.809524 |
190 | YLC | 0.504348 | 0.829268 |
191 | BTX | 0.504202 | 0.831325 |
192 | NMN AMP PO4 | 0.504202 | 0.883117 |
193 | NAD | 0.504202 | 0.945205 |
194 | 6AD | 0.5 | 0.897436 |
195 | 62F | 0.5 | 0.875 |
196 | P1H | 0.496124 | 0.864198 |
197 | A3D | 0.495868 | 0.932432 |
198 | IOT | 0.495726 | 0.821429 |
199 | ALF ADP 3PG | 0.495652 | 0.82716 |
200 | TSB | 0.495146 | 0.809524 |
201 | A5A | 0.49505 | 0.797619 |
202 | AV2 | 0.49505 | 0.905405 |
203 | H1Q | 0.494845 | 0.891892 |
204 | YLA | 0.491525 | 0.809524 |
205 | 7MD | 0.491071 | 0.851852 |
206 | AVV | 0.490385 | 0.884615 |
207 | SSA | 0.490196 | 0.790698 |
208 | 3AT | 0.49 | 0.958333 |
209 | 6RE | 0.48913 | 0.75 |
210 | 3DH | 0.488889 | 0.763158 |
211 | M2T | 0.488636 | 0.725 |
212 | DTA | 0.488636 | 0.8 |
213 | BT5 | 0.487603 | 0.821429 |
214 | AYB | 0.487395 | 0.8 |
215 | TAD | 0.486726 | 0.873418 |
216 | AMP DBH | 0.486486 | 0.906667 |
217 | NSS | 0.485714 | 0.790698 |
218 | VMS | 0.485437 | 0.77907 |
219 | 52H | 0.485437 | 0.770115 |
220 | 54H | 0.485437 | 0.77907 |
221 | NO7 | 0.485437 | 0.92 |
222 | 38V | 0.484127 | 0.898734 |
223 | MTA | 0.483146 | 0.763158 |
224 | AHZ | 0.482456 | 0.807229 |
225 | NVA LMS | 0.481132 | 0.744444 |
226 | 53H | 0.480769 | 0.770115 |
227 | 8X1 | 0.480769 | 0.744444 |
228 | 5CA | 0.480769 | 0.790698 |
229 | NAE | 0.48 | 0.907895 |
230 | N01 | 0.479675 | 0.918919 |
231 | CUU | 0.479592 | 0.958333 |
232 | 5X8 | 0.479592 | 0.753247 |
233 | IMO | 0.478723 | 0.916667 |
234 | LPA AMP | 0.478261 | 0.807229 |
235 | NAQ | 0.47619 | 0.884615 |
236 | ETB | 0.475806 | 0.823529 |
237 | DCA | 0.475806 | 0.813953 |
238 | DTP | 0.475248 | 0.893333 |
239 | 6MZ | 0.473684 | 0.917808 |
240 | ZID | 0.472441 | 0.932432 |
241 | P5A | 0.472222 | 0.736264 |
242 | LSS | 0.471698 | 0.752809 |
243 | DSZ | 0.471698 | 0.790698 |
244 | 9BG | 0.471074 | 0.909091 |
245 | AF3 ADP 3PG | 0.470085 | 0.82716 |
246 | 0T1 | 0.468254 | 0.813953 |
247 | COA | 0.468254 | 0.813953 |
248 | D4F | 0.468254 | 0.851852 |
249 | NAJ PZO | 0.467742 | 0.860759 |
250 | ARU | 0.46729 | 0.85 |
251 | 6FA | 0.466667 | 0.853659 |
252 | FB0 | 0.466165 | 0.795455 |
253 | NAD IBO | 0.466102 | 0.931507 |
254 | NAD TDB | 0.466102 | 0.931507 |
255 | 7MC | 0.466102 | 0.831325 |
256 | DAT | 0.464646 | 0.893333 |
257 | LQJ | 0.464286 | 0.931507 |
258 | B1U | 0.464286 | 0.747253 |
259 | DZD | 0.463415 | 0.897436 |
260 | A3N | 0.463158 | 0.776316 |
261 | J7C | 0.463158 | 0.759494 |
262 | LEU LMS | 0.462963 | 0.722222 |
263 | ZAS | 0.462366 | 0.75641 |
264 | APU | 0.462185 | 0.907895 |
265 | NDE | 0.462121 | 0.945946 |
266 | M24 | 0.460317 | 0.8625 |
267 | PUA | 0.460317 | 0.897436 |
268 | YLY | 0.460317 | 0.8 |
269 | 7DT | 0.46 | 0.971831 |
270 | FAD | 0.459854 | 0.864198 |
271 | SFD | 0.459854 | 0.744681 |
272 | FAS | 0.459854 | 0.864198 |
273 | FDA | 0.459259 | 0.845238 |
274 | 7DD | 0.459184 | 0.971831 |
275 | GSU | 0.458716 | 0.770115 |
276 | KAA | 0.458716 | 0.744444 |
277 | S4M | 0.458333 | 0.659091 |
278 | COS | 0.457364 | 0.795455 |
279 | AMX | 0.457364 | 0.823529 |
280 | CAO | 0.457364 | 0.786517 |
281 | 30N | 0.457364 | 0.744681 |
282 | K3K | 0.455357 | 0.815789 |
283 | NDP DTT | 0.455224 | 0.831325 |
284 | 9K8 | 0.454545 | 0.725275 |
285 | SCO | 0.453846 | 0.813953 |
286 | CMX | 0.453846 | 0.813953 |
287 | MAO | 0.453608 | 0.75 |
288 | NDO | 0.453125 | 0.932432 |
289 | NAJ PYZ | 0.453125 | 0.819277 |
290 | DSH | 0.452632 | 0.716049 |
291 | YSA | 0.451327 | 0.790698 |
292 | CA6 | 0.451128 | 0.721649 |
293 | O02 | 0.45098 | 0.909091 |
294 | APX | 0.45045 | 0.896104 |
295 | ACO | 0.450382 | 0.786517 |
296 | FCX | 0.450382 | 0.786517 |
297 | FAM | 0.450382 | 0.795455 |
298 | SFG | 0.45 | 0.74026 |
299 | N0B | 0.449612 | 0.831325 |
300 | 9JJ | 0.448276 | 0.875 |
301 | HAX | 0.44697 | 0.795455 |
302 | DDS | 0.446602 | 0.866667 |
303 | J4G | 0.445455 | 0.907895 |
304 | NDC | 0.444444 | 0.884615 |
305 | 2MC | 0.444444 | 0.76087 |
306 | FAY | 0.443662 | 0.875 |
307 | FYN | 0.443609 | 0.813953 |
308 | 3KK | 0.443609 | 0.795455 |
309 | 4TA | 0.443548 | 0.819277 |
310 | AMP NAD | 0.443548 | 0.918919 |
311 | GJV | 0.443299 | 0.740741 |
312 | NWW | 0.443182 | 0.75 |
313 | RGT | 0.442478 | 0.945946 |
314 | 8PZ | 0.442478 | 0.811765 |
315 | IVC | 0.441176 | 0.804598 |
316 | SA8 | 0.441176 | 0.698795 |
317 | RFL | 0.440559 | 0.833333 |
318 | COK | 0.440298 | 0.795455 |
319 | OXK | 0.440298 | 0.795455 |
320 | SOP | 0.440298 | 0.795455 |
321 | KGP | 0.440298 | 0.721649 |
322 | YZS | 0.440298 | 0.721649 |
323 | MCD | 0.440298 | 0.795455 |
324 | PGS | 0.44 | 0.871795 |
325 | 71V | 0.438776 | 0.896104 |
326 | 2SA | 0.438095 | 0.92 |
327 | A3G | 0.4375 | 0.789474 |
328 | CMC | 0.437037 | 0.795455 |
329 | 1VU | 0.437037 | 0.786517 |
330 | NMX | 0.437037 | 0.752688 |
331 | CO6 | 0.437037 | 0.795455 |
332 | SAI | 0.436893 | 0.725 |
333 | 6C6 | 0.436893 | 0.87013 |
334 | SAH | 0.436893 | 0.734177 |
335 | FNK | 0.43662 | 0.816092 |
336 | 4YB | 0.435897 | 0.772727 |
337 | 5AD | 0.435294 | 0.736111 |
338 | GEK | 0.435185 | 0.728395 |
339 | S7M | 0.433962 | 0.682353 |
340 | SCD | 0.433824 | 0.813953 |
341 | CAJ | 0.433824 | 0.795455 |
342 | WSA | 0.433333 | 0.8 |
343 | 6IA | 0.432692 | 0.82716 |
344 | Y3J | 0.431818 | 0.716216 |
345 | KGA | 0.431655 | 0.736842 |
346 | CA8 | 0.431655 | 0.739583 |
347 | BCO | 0.430657 | 0.795455 |
348 | KGJ | 0.430657 | 0.744681 |
349 | 1HE | 0.430657 | 0.777778 |
350 | MLC | 0.430657 | 0.795455 |
351 | 3HC | 0.430657 | 0.804598 |
352 | A1S | 0.430657 | 0.795455 |
353 | 7D7 | 0.430233 | 0.733333 |
354 | A7D | 0.43 | 0.766234 |
355 | AAT | 0.428571 | 0.698795 |
356 | EEM | 0.428571 | 0.682353 |
357 | SO5 | 0.427536 | 0.714286 |
358 | LCV | 0.427536 | 0.714286 |
359 | CAA | 0.427536 | 0.804598 |
360 | MCA | 0.427536 | 0.786517 |
361 | YE1 | 0.427536 | 0.825581 |
362 | COO | 0.427536 | 0.795455 |
363 | N6P | 0.427273 | 0.929577 |
364 | NVA 2AD | 0.427184 | 0.75 |
365 | A5D | 0.427184 | 0.8 |
366 | 101 | 0.427083 | 0.866667 |
367 | GGZ | 0.425926 | 0.814815 |
368 | MHZ | 0.425743 | 0.689655 |
369 | 128 | 0.425 | 0.788235 |
370 | YXR | 0.42446 | 0.721649 |
371 | MC4 | 0.42446 | 0.752688 |
372 | SCA | 0.42446 | 0.795455 |
373 | YXS | 0.42446 | 0.721649 |
374 | 2CP | 0.42446 | 0.786517 |
375 | DA | 0.42268 | 0.866667 |
376 | NEC | 0.42268 | 0.736842 |
377 | D5M | 0.42268 | 0.866667 |
378 | K3E | 0.422414 | 0.805195 |
379 | KFV | 0.421429 | 0.729167 |
380 | HGG | 0.421429 | 0.795455 |
381 | 1GZ | 0.421429 | 0.786517 |
382 | 2KQ | 0.421429 | 0.777778 |
383 | COF | 0.421429 | 0.777778 |
384 | 3CP | 0.421429 | 0.795455 |
385 | BYC | 0.421429 | 0.816092 |
386 | COW | 0.421429 | 0.806818 |
387 | IRC | 0.421429 | 0.804598 |
388 | V47 | 0.420561 | 0.797297 |
389 | SMM | 0.420561 | 0.678161 |
390 | CO8 | 0.41958 | 0.777778 |
391 | 1CZ | 0.41958 | 0.786517 |
392 | S0N | 0.41958 | 0.816092 |
393 | SAM | 0.419048 | 0.682353 |
394 | 7C5 | 0.418803 | 0.831169 |
395 | BCA | 0.41844 | 0.806818 |
396 | FAQ | 0.41844 | 0.816092 |
397 | 4CA | 0.41844 | 0.806818 |
398 | AAM | 0.418367 | 0.957747 |
399 | NHM | 0.417808 | 0.777778 |
400 | NHW | 0.417808 | 0.777778 |
401 | UOQ | 0.417808 | 0.777778 |
402 | 5F9 | 0.416667 | 0.777778 |
403 | ST9 | 0.416667 | 0.777778 |
404 | UCC | 0.416667 | 0.777778 |
405 | MFK | 0.416667 | 0.777778 |
406 | MYA | 0.416667 | 0.777778 |
407 | DCC | 0.416667 | 0.777778 |
408 | KOY | 0.416667 | 0.815789 |
409 | GPG | 0.415929 | 0.922078 |
410 | A3S | 0.415842 | 0.8 |
411 | HXC | 0.415493 | 0.777778 |
412 | GRA | 0.415493 | 0.795455 |
413 | AMZ | 0.414894 | 0.90411 |
414 | C2R | 0.414894 | 0.891892 |
415 | K2W | 0.413793 | 0.753086 |
416 | GDC | 0.413793 | 0.897436 |
417 | GKE | 0.413793 | 0.897436 |
418 | 0ET | 0.413793 | 0.777778 |
419 | GDD | 0.413793 | 0.897436 |
420 | Z5A | 0.413534 | 0.790698 |
421 | P5F | 0.413333 | 0.835294 |
422 | GSP | 0.412844 | 0.8625 |
423 | TGC | 0.412587 | 0.786517 |
424 | K15 | 0.410714 | 0.674419 |
425 | V1N | 0.410256 | 0.931507 |
426 | 649 | 0.409836 | 0.755556 |
427 | 2NE | 0.409722 | 0.797753 |
428 | CIC | 0.409722 | 0.795455 |
429 | N9V | 0.409722 | 0.786517 |
430 | GP3 | 0.409524 | 0.934211 |
431 | 6K6 | 0.409091 | 0.917808 |
432 | FAJ | 0.409091 | 0.843373 |
433 | QXP | 0.409091 | 0.797619 |
434 | K38 | 0.408696 | 0.792208 |
435 | 12D | 0.408333 | 0.797619 |
436 | HDC | 0.408163 | 0.777778 |
437 | F2N | 0.407895 | 0.825581 |
438 | 2VA | 0.407767 | 0.789474 |
439 | A3T | 0.407767 | 0.810811 |
440 | GTP | 0.407407 | 0.907895 |
441 | 4CO | 0.406897 | 0.806818 |
442 | 0FQ | 0.406897 | 0.816092 |
443 | AIR | 0.406593 | 0.888889 |
444 | 8Q2 | 0.406504 | 0.784091 |
445 | NIA | 0.40625 | 0.8125 |
446 | GDP | 0.40566 | 0.907895 |
447 | MRR | 0.405405 | 0.777778 |
448 | MRS | 0.405405 | 0.777778 |
449 | HFQ | 0.405405 | 0.797753 |
450 | 0UM | 0.405405 | 0.690476 |
451 | FA9 | 0.405229 | 0.876543 |
452 | UBG | 0.40411 | 0.876543 |
453 | 01A | 0.40411 | 0.78022 |
454 | G1R | 0.40367 | 0.896104 |
455 | PAX | 0.402985 | 0.841463 |
456 | NAD BBN | 0.402778 | 0.853659 |
457 | YNC | 0.402685 | 0.786517 |
458 | J5H | 0.402685 | 0.816092 |
459 | DAK | 0.402685 | 0.788889 |
460 | GNH | 0.401869 | 0.896104 |
461 | 62X | 0.401786 | 0.659091 |
462 | K3H | 0.401709 | 0.7625 |
463 | WCA | 0.401361 | 0.797753 |
464 | CS8 | 0.401361 | 0.769231 |
465 | 1CV | 0.401361 | 0.795455 |
466 | EO7 | 0.4 | 0.77907 |
467 | 8Z2 | 0.4 | 0.769231 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 5dhu.bio1) has 55 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5dhu.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 5dhu.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 5dhu.bio1) has 55 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |