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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- 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 | 1WK8 | - | VMS | C15 H23 N7 O7 S | CC(C)[C@@H.... |
2 | 1WNZ | - | 2VA | C15 H23 N7 O4 | CC(C)[C@@H.... |
3 | 1UE0 | - | VAL | C5 H11 N O2 | CC(C)[C@@H.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1WK8 | - | VMS | C15 H23 N7 O7 S | CC(C)[C@@H.... |
2 | 1WNZ | - | 2VA | C15 H23 N7 O4 | CC(C)[C@@H.... |
3 | 1UE0 | - | VAL | C5 H11 N O2 | CC(C)[C@@H.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 2VA | 1 | 1 |
2 | SO8 | 0.828947 | 0.955224 |
3 | VRT | 0.7375 | 0.9 |
4 | NVA 2AD | 0.725 | 0.887324 |
5 | A3T | 0.619048 | 0.969231 |
6 | A3S | 0.55814 | 0.925373 |
7 | VMS | 0.531915 | 0.75 |
8 | 54H | 0.531915 | 0.75 |
9 | A3G | 0.517647 | 0.911765 |
10 | RAB | 0.513158 | 0.938462 |
11 | ADN | 0.513158 | 0.938462 |
12 | XYA | 0.513158 | 0.938462 |
13 | 7D7 | 0.5 | 0.823529 |
14 | D3Y | 0.494845 | 0.898551 |
15 | 7D5 | 0.493976 | 0.74026 |
16 | 2AM | 0.488095 | 0.797297 |
17 | 3NZ | 0.485149 | 0.887324 |
18 | MTA | 0.481928 | 0.855072 |
19 | TSB | 0.479592 | 0.738095 |
20 | A5A | 0.479167 | 0.72619 |
21 | 5X8 | 0.478261 | 0.842857 |
22 | J7C | 0.477273 | 0.797297 |
23 | NWW | 0.475 | 0.846154 |
24 | 5CD | 0.475 | 0.865672 |
25 | 6RE | 0.471264 | 0.786667 |
26 | 3DH | 0.470588 | 0.855072 |
27 | J4G | 0.470588 | 0.759494 |
28 | DTA | 0.46988 | 0.816901 |
29 | 5AL | 0.46875 | 0.813333 |
30 | A2P | 0.466667 | 0.76 |
31 | NEC | 0.465909 | 0.880597 |
32 | 3AM | 0.465116 | 0.783784 |
33 | QA7 | 0.464646 | 0.828947 |
34 | 5N5 | 0.4625 | 0.909091 |
35 | 8QN | 0.46 | 0.813333 |
36 | A | 0.45977 | 0.797297 |
37 | AMP | 0.45977 | 0.797297 |
38 | EP4 | 0.457831 | 0.884058 |
39 | A4D | 0.45679 | 0.909091 |
40 | 3D1 | 0.45679 | 0.855072 |
41 | 3L1 | 0.45679 | 0.855072 |
42 | 3AD | 0.45679 | 0.893939 |
43 | AN2 | 0.456522 | 0.789474 |
44 | 7D3 | 0.455556 | 0.74359 |
45 | LSS | 0.455446 | 0.724138 |
46 | OVE | 0.454545 | 0.766234 |
47 | NWQ | 0.453488 | 0.848485 |
48 | SA8 | 0.452632 | 0.8 |
49 | M2T | 0.452381 | 0.859155 |
50 | A3P | 0.450549 | 0.773333 |
51 | 8LQ | 0.45 | 0.792208 |
52 | 53H | 0.45 | 0.741176 |
53 | 5AD | 0.448718 | 0.830769 |
54 | SAH | 0.447917 | 0.819444 |
55 | SFG | 0.446809 | 0.828571 |
56 | 9ZA | 0.445545 | 0.794872 |
57 | 9ZD | 0.445545 | 0.794872 |
58 | SSA | 0.444444 | 0.72093 |
59 | S7M | 0.444444 | 0.779221 |
60 | 45A | 0.444444 | 0.8 |
61 | 8LH | 0.444444 | 0.815789 |
62 | ABM | 0.444444 | 0.8 |
63 | SAM | 0.443299 | 0.779221 |
64 | 2A5 | 0.442105 | 0.75641 |
65 | 0UM | 0.441176 | 0.813333 |
66 | DSZ | 0.441176 | 0.701149 |
67 | 52H | 0.44 | 0.741176 |
68 | GJV | 0.43956 | 0.776316 |
69 | V2G | 0.438776 | 0.7625 |
70 | EEM | 0.438776 | 0.779221 |
71 | AMP MG | 0.438202 | 0.808219 |
72 | ATR | 0.4375 | 0.773333 |
73 | NVA LMS | 0.436893 | 0.677778 |
74 | AHX | 0.436893 | 0.78481 |
75 | 7D4 | 0.43617 | 0.74359 |
76 | CA0 | 0.43617 | 0.802632 |
77 | DAL AMP | 0.435644 | 0.813333 |
78 | 5CA | 0.435644 | 0.72093 |
79 | BA3 | 0.434783 | 0.8 |
80 | N5O | 0.433333 | 0.869565 |
81 | SAI | 0.43299 | 0.808219 |
82 | QQX | 0.431818 | 0.717949 |
83 | KG4 | 0.431579 | 0.802632 |
84 | KL2 | 0.430233 | 0.746667 |
85 | B4P | 0.430108 | 0.8 |
86 | AP5 | 0.430108 | 0.8 |
87 | ADP | 0.430108 | 0.8 |
88 | 5AS | 0.430108 | 0.701149 |
89 | SRP | 0.43 | 0.792208 |
90 | SMM | 0.43 | 0.772152 |
91 | A2D | 0.428571 | 0.8 |
92 | V3L | 0.428571 | 0.776316 |
93 | NSS | 0.427184 | 0.701149 |
94 | 5FA | 0.427083 | 0.8 |
95 | AQP | 0.427083 | 0.8 |
96 | QQY | 0.426966 | 0.727273 |
97 | LMS | 0.426966 | 0.702381 |
98 | ACK | 0.426966 | 0.767123 |
99 | Y3J | 0.426829 | 0.779412 |
100 | SON | 0.425532 | 0.769231 |
101 | AT4 | 0.425532 | 0.769231 |
102 | CC5 | 0.425 | 0.878788 |
103 | TXA | 0.424528 | 0.815789 |
104 | ME8 | 0.424528 | 0.73494 |
105 | NB8 | 0.424528 | 0.7625 |
106 | SXZ | 0.424528 | 0.826667 |
107 | PPS | 0.424242 | 0.702381 |
108 | 8LE | 0.424242 | 0.828947 |
109 | N5A | 0.423913 | 0.84058 |
110 | S4M | 0.423913 | 0.75 |
111 | PAP | 0.42268 | 0.786667 |
112 | SRA | 0.422222 | 0.75641 |
113 | M33 | 0.421053 | 0.813333 |
114 | ADX | 0.421053 | 0.722892 |
115 | AU1 | 0.421053 | 0.779221 |
116 | AP2 | 0.419355 | 0.769231 |
117 | A12 | 0.419355 | 0.769231 |
118 | NA7 | 0.419048 | 0.769231 |
119 | G5A | 0.418367 | 0.701149 |
120 | DSH | 0.417582 | 0.797297 |
121 | AOC | 0.417582 | 0.855072 |
122 | HEJ | 0.416667 | 0.8 |
123 | CUU | 0.416667 | 0.776316 |
124 | ATP | 0.416667 | 0.8 |
125 | V47 | 0.415842 | 0.84058 |
126 | KAA | 0.415094 | 0.677778 |
127 | GSU | 0.415094 | 0.681818 |
128 | GAP | 0.414141 | 0.802632 |
129 | AMO | 0.413462 | 0.792208 |
130 | PAJ | 0.413462 | 0.844156 |
131 | A3N | 0.413043 | 0.869565 |
132 | APC | 0.412371 | 0.769231 |
133 | NWZ | 0.412371 | 0.797297 |
134 | PRX | 0.412371 | 0.779221 |
135 | 0XU | 0.412371 | 0.802817 |
136 | 5F1 | 0.411765 | 0.760563 |
137 | A2R | 0.411765 | 0.789474 |
138 | PTJ | 0.411215 | 0.807692 |
139 | 3OD | 0.411215 | 0.826667 |
140 | ZAS | 0.411111 | 0.794521 |
141 | 7MD | 0.410714 | 0.756098 |
142 | A7D | 0.410526 | 0.857143 |
143 | ADP MG | 0.410526 | 0.797297 |
144 | ADP BEF | 0.410526 | 0.797297 |
145 | DLL | 0.409524 | 0.789474 |
146 | 62X | 0.409524 | 0.794872 |
147 | YSA | 0.409091 | 0.681818 |
148 | XAH | 0.409091 | 0.73494 |
149 | AGS | 0.408163 | 0.759494 |
150 | 8X1 | 0.407767 | 0.677778 |
151 | A22 | 0.407767 | 0.789474 |
152 | MHZ | 0.40625 | 0.740741 |
153 | K15 | 0.40566 | 0.769231 |
154 | OAD | 0.40566 | 0.826667 |
155 | LEU LMS | 0.40566 | 0.732558 |
156 | MAO | 0.404255 | 0.740741 |
157 | GEK | 0.403846 | 0.786667 |
158 | HZ2 | 0.403509 | 0.826667 |
159 | DA | 0.402174 | 0.717949 |
160 | D5M | 0.402174 | 0.717949 |
161 | 50T | 0.402062 | 0.789474 |
162 | ACP | 0.402062 | 0.779221 |
163 | LAD | 0.401869 | 0.753086 |
164 | ACQ | 0.4 | 0.779221 |
165 | 3AT | 0.4 | 0.776316 |
166 | 48N | 0.4 | 0.78481 |
167 | NX8 | 0.4 | 0.810811 |
168 | 4AD | 0.4 | 0.782051 |
169 | T99 | 0.4 | 0.769231 |
170 | ANP | 0.4 | 0.779221 |
171 | TAT | 0.4 | 0.769231 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 2GP | 0.8788 |
This union binding pocket(no: 1) in the query (biounit: 1wk8.bio2) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |