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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 1 families. | |||||
1 | 2VZU | - | PNJ | C12 H16 N2 O7 | c1cc(ccc1[.... |
2 | 2VZS | - | GCS | C6 H13 N O5 | C([C@@H]1[.... |
3 | 2X09 | Ki = 175 uM | X09 | C8 H16 N2 O3 | C1C[N@]2[C.... |
4 | 2VZT | - | PNJ | C12 H16 N2 O7 | c1cc(ccc1[.... |
5 | 2X05 | Ki = 610 nM | X05 | C8 H16 N2 O3 | C1C[N@@]2C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 2VZU | - | PNJ | C12 H16 N2 O7 | c1cc(ccc1[.... |
2 | 2VZS | - | GCS | C6 H13 N O5 | C([C@@H]1[.... |
3 | 2X09 | Ki = 175 uM | X09 | C8 H16 N2 O3 | C1C[N@]2[C.... |
4 | 2VZT | - | PNJ | C12 H16 N2 O7 | c1cc(ccc1[.... |
5 | 2X05 | Ki = 610 nM | X05 | C8 H16 N2 O3 | C1C[N@@]2C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PNJ | 1 | 1 |
2 | KHP | 0.709091 | 0.844828 |
3 | PNW | 0.644068 | 0.910714 |
4 | MBE | 0.644068 | 0.910714 |
5 | GLA NPO | 0.644068 | 0.910714 |
6 | 147 | 0.644068 | 0.910714 |
7 | PNA | 0.644068 | 0.910714 |
8 | PNG | 0.644068 | 0.910714 |
9 | NBZ GLA | 0.644068 | 0.910714 |
10 | 6ZC | 0.542857 | 0.887097 |
11 | LEC | 0.542857 | 0.887097 |
12 | RCB | 0.534247 | 0.87931 |
13 | NGB | 0.527778 | 0.87931 |
14 | NPJ | 0.527778 | 0.87931 |
15 | NSQ | 0.5 | 0.680556 |
16 | A2G NPO GAL | 0.475 | 0.859375 |
17 | JFZ | 0.461538 | 0.77193 |
18 | LEC NGA | 0.457831 | 0.846154 |
19 | 6Y2 | 0.457831 | 0.846154 |
20 | C3G | 0.455882 | 0.758621 |
21 | GAA | 0.442857 | 0.928571 |
22 | LAM | 0.426966 | 0.836066 |
23 | XTG | 0.419753 | 0.793651 |
24 | 3XN | 0.416667 | 0.776119 |
25 | GP1 | 0.409836 | 0.677419 |
26 | NFG | 0.407895 | 0.828125 |
27 | M2F | 0.407895 | 0.828125 |
28 | GAT | 0.4 | 0.714286 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BO1 | 0.9521 |
2 | GAL PHB | 0.9457 |
3 | GAL NPO | 0.9445 |
4 | 40W | 0.9335 |
5 | 6T5 | 0.9189 |
6 | KVQ | 0.9186 |
7 | BJ4 | 0.9165 |
8 | KVN | 0.9152 |
9 | KVW | 0.9145 |
10 | MRE | 0.9130 |
11 | 5YA | 0.9109 |
12 | 338 | 0.9105 |
13 | TYP | 0.9103 |
14 | 6MY | 0.9100 |
15 | KUQ | 0.9056 |
16 | INI | 0.9050 |
17 | 73E | 0.9043 |
18 | 5WW | 0.9029 |
19 | 3TI | 0.9022 |
20 | 205 | 0.9019 |
21 | CT7 | 0.9015 |
22 | ECZ | 0.9014 |
23 | 88X | 0.9009 |
24 | J90 | 0.8980 |
25 | M3W | 0.8979 |
26 | VT3 | 0.8977 |
27 | 697 | 0.8972 |
28 | IY5 | 0.8965 |
29 | 1V0 | 0.8950 |
30 | 2ZI | 0.8948 |
31 | GLC BGC | 0.8942 |
32 | QC1 | 0.8939 |
33 | 1UR | 0.8937 |
34 | 8QE | 0.8937 |
35 | 1UT | 0.8932 |
36 | NAR | 0.8926 |
37 | E9L | 0.8913 |
38 | QTJ | 0.8911 |
39 | F0C | 0.8909 |
40 | 97K | 0.8908 |
41 | NU3 | 0.8903 |
42 | NPZ | 0.8898 |
43 | 3WJ | 0.8898 |
44 | 1V8 | 0.8889 |
45 | BXZ | 0.8887 |
46 | MHB | 0.8886 |
47 | T5J | 0.8884 |
48 | 0QX | 0.8882 |
49 | CDJ | 0.8876 |
50 | TCW | 0.8872 |
51 | 6BK | 0.8867 |
52 | IDD | 0.8864 |
53 | W8L | 0.8862 |
54 | H2W | 0.8861 |
55 | 08C | 0.8843 |
56 | 7ZO | 0.8835 |
57 | 121 | 0.8826 |
58 | 801 | 0.8826 |
59 | SGW | 0.8820 |
60 | SQM | 0.8820 |
61 | 1FL | 0.8818 |
62 | 122 | 0.8816 |
63 | XYP XYP | 0.8811 |
64 | ZZ1 GAL | 0.8810 |
65 | BUX | 0.8806 |
66 | KTM | 0.8802 |
67 | 9W7 | 0.8799 |
68 | JFS | 0.8797 |
69 | OSY | 0.8793 |
70 | F36 | 0.8791 |
71 | 120 | 0.8785 |
72 | P1Y | 0.8783 |
73 | EMU | 0.8782 |
74 | TH1 | 0.8782 |
75 | TVZ | 0.8779 |
76 | KS2 | 0.8775 |
77 | B1W | 0.8775 |
78 | NW1 | 0.8773 |
79 | ZT4 | 0.8773 |
80 | 2UV | 0.8771 |
81 | QRP | 0.8771 |
82 | XYP XIM | 0.8771 |
83 | AUY | 0.8769 |
84 | VXM | 0.8768 |
85 | BNY | 0.8766 |
86 | GLA BEZ | 0.8765 |
87 | B1N | 0.8762 |
88 | WG8 | 0.8762 |
89 | FD7 | 0.8757 |
90 | GLA GAL | 0.8756 |
91 | NQK | 0.8756 |
92 | YEX | 0.8756 |
93 | 56N | 0.8755 |
94 | D64 | 0.8754 |
95 | MQ1 | 0.8754 |
96 | YJX | 0.8753 |
97 | 1UZ | 0.8752 |
98 | B7H | 0.8751 |
99 | U55 | 0.8738 |
100 | 7FC | 0.8738 |
101 | 135 | 0.8738 |
102 | XYS XYS | 0.8738 |
103 | TVC | 0.8737 |
104 | DE7 | 0.8736 |
105 | 4L2 | 0.8734 |
106 | LOX XYP | 0.8734 |
107 | X8E | 0.8731 |
108 | 3G5 | 0.8729 |
109 | FL9 | 0.8729 |
110 | GVI | 0.8723 |
111 | AP6 | 0.8721 |
112 | LI4 | 0.8718 |
113 | 5TU | 0.8711 |
114 | JVB | 0.8710 |
115 | 22M | 0.8709 |
116 | 334 | 0.8709 |
117 | O9Z | 0.8706 |
118 | LKS | 0.8705 |
119 | 5XM | 0.8705 |
120 | FLF | 0.8701 |
121 | CWP | 0.8700 |
122 | T98 | 0.8699 |
123 | LI7 | 0.8697 |
124 | 9W8 | 0.8697 |
125 | FKG | 0.8696 |
126 | 6WL | 0.8696 |
127 | LVE | 0.8695 |
128 | 100 | 0.8694 |
129 | ACJ | 0.8694 |
130 | KTV | 0.8694 |
131 | G2V | 0.8689 |
132 | O9T | 0.8688 |
133 | 581 | 0.8685 |
134 | 4K2 | 0.8684 |
135 | HO6 | 0.8679 |
136 | 1V1 | 0.8676 |
137 | J8D | 0.8675 |
138 | 06R | 0.8675 |
139 | 3CA | 0.8675 |
140 | 5ZM | 0.8674 |
141 | GYZ | 0.8672 |
142 | 7WD | 0.8672 |
143 | 7W7 | 0.8671 |
144 | FKJ | 0.8670 |
145 | LU2 | 0.8667 |
146 | GEN | 0.8665 |
147 | 4JV | 0.8664 |
148 | JE7 | 0.8663 |
149 | 3F4 | 0.8661 |
150 | RGK | 0.8660 |
151 | SZ5 | 0.8656 |
152 | AGI | 0.8656 |
153 | 20D | 0.8655 |
154 | TMP | 0.8651 |
155 | MF5 | 0.8642 |
156 | 7NU | 0.8641 |
157 | J45 | 0.8640 |
158 | 8E3 | 0.8636 |
159 | H0V | 0.8630 |
160 | 5GP | 0.8629 |
161 | 272 | 0.8627 |
162 | LVY | 0.8623 |
163 | P34 | 0.8613 |
164 | Q92 | 0.8613 |
165 | IMK | 0.8607 |
166 | 3WL | 0.8607 |
167 | 9ME | 0.8606 |
168 | DFL | 0.8604 |
169 | ON1 | 0.8603 |
170 | BFS | 0.8600 |
171 | MRI | 0.8598 |
172 | 4KN | 0.8597 |
173 | LVP | 0.8594 |
174 | 3GX | 0.8594 |
175 | 25F | 0.8594 |
176 | SIJ | 0.8588 |
177 | 27F | 0.8588 |
178 | XAV | 0.8587 |
179 | 1R5 | 0.8583 |
180 | PTQ | 0.8565 |
181 | BGK | 0.8565 |
182 | 4ZF | 0.8563 |
183 | 5NN | 0.8562 |
184 | KMP | 0.8559 |
185 | 5CX | 0.8555 |
186 | E6Q | 0.8555 |
187 | ELH | 0.8555 |
188 | FE5 | 0.8549 |
189 | 6H2 | 0.8545 |
190 | QUE | 0.8540 |
191 | B4L | 0.8531 |
192 | 15I | 0.8527 |
193 | LZK | 0.8524 |
This union binding pocket(no: 1) in the query (biounit: 2x05.bio2) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2x05.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |