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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 1 families. | |||||
1 | 6MAX | Ki = 1.9 uM | 9TF | C14 H8 O5 | c1ccc2c(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 6MAX | Ki = 1.9 uM | 9TF | C14 H8 O5 | c1ccc2c(c1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 9TF | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 537 | 0.9551 |
2 | TXQ | 0.9532 |
3 | EMO | 0.9501 |
4 | E1K | 0.9480 |
5 | 8SK | 0.9395 |
6 | BA5 | 0.9379 |
7 | NRA | 0.9360 |
8 | MNY | 0.9352 |
9 | JTA | 0.9344 |
10 | GNV | 0.9333 |
11 | 3J8 | 0.9324 |
12 | TIY | 0.9322 |
13 | LFN | 0.9294 |
14 | XM5 | 0.9285 |
15 | 19E | 0.9271 |
16 | RHN | 0.9264 |
17 | IQZ | 0.9255 |
18 | DNQ | 0.9254 |
19 | JRO | 0.9250 |
20 | REF | 0.9248 |
21 | ZSP | 0.9242 |
22 | THA | 0.9239 |
23 | 1YL | 0.9219 |
24 | HNA | 0.9202 |
25 | 68A | 0.9184 |
26 | 1EL | 0.9184 |
27 | DX7 | 0.9181 |
28 | MNX | 0.9177 |
29 | ANC | 0.9174 |
30 | 344 | 0.9174 |
31 | H4B | 0.9160 |
32 | BGU | 0.9157 |
33 | 54X | 0.9154 |
34 | 6QF | 0.9144 |
35 | S60 | 0.9137 |
36 | 8MO | 0.9133 |
37 | AA | 0.9132 |
38 | ANF | 0.9127 |
39 | 5WT | 0.9112 |
40 | LUM | 0.9102 |
41 | NOM | 0.9096 |
42 | M3F | 0.9095 |
43 | Q0K | 0.9087 |
44 | 1DR | 0.9086 |
45 | 5V7 | 0.9084 |
46 | DPT | 0.9078 |
47 | GNM | 0.9069 |
48 | UXH | 0.9057 |
49 | 39Z | 0.9057 |
50 | 6TJ | 0.9053 |
51 | DRG | 0.9050 |
52 | 582 | 0.9044 |
53 | 9CE | 0.9030 |
54 | N0Z | 0.9021 |
55 | H5B | 0.9021 |
56 | GNJ | 0.9019 |
57 | 9KZ | 0.9013 |
58 | B56 | 0.9009 |
59 | 2AN | 0.9007 |
60 | F40 | 0.8997 |
61 | CX6 | 0.8993 |
62 | 6FB | 0.8990 |
63 | 9AP | 0.8981 |
64 | 3Y7 | 0.8977 |
65 | 5TY | 0.8977 |
66 | HHS | 0.8976 |
67 | AZN | 0.8969 |
68 | II4 | 0.8959 |
69 | CUE | 0.8957 |
70 | LDR | 0.8954 |
71 | DXK | 0.8950 |
72 | 4AN | 0.8949 |
73 | 2JK | 0.8946 |
74 | CZ0 | 0.8945 |
75 | 465 | 0.8943 |
76 | S98 | 0.8940 |
77 | 2WU | 0.8938 |
78 | 1V3 | 0.8936 |
79 | CNI | 0.8934 |
80 | AO6 | 0.8932 |
81 | JF8 | 0.8929 |
82 | PRL | 0.8925 |
83 | BIO | 0.8914 |
84 | BPU | 0.8908 |
85 | 1HN | 0.8899 |
86 | V1T | 0.8897 |
87 | DNA | 0.8894 |
88 | WS7 | 0.8891 |
89 | EQU | 0.8891 |
90 | 2GQ | 0.8890 |
91 | DK1 | 0.8884 |
92 | 5NN | 0.8883 |
93 | DX2 | 0.8881 |
94 | JY4 | 0.8877 |
95 | BGC BGC | 0.8877 |
96 | E2Q | 0.8874 |
97 | FQX | 0.8871 |
98 | AQN | 0.8859 |
99 | ADL | 0.8858 |
100 | ZYR | 0.8853 |
101 | IXM | 0.8852 |
102 | WUB | 0.8846 |
103 | 8G6 | 0.8843 |
104 | GNY | 0.8842 |
105 | TCR | 0.8831 |
106 | JP2 | 0.8830 |
107 | 18E | 0.8830 |
108 | 3UG | 0.8829 |
109 | CHQ | 0.8825 |
110 | 0FR | 0.8818 |
111 | B52 | 0.8817 |
112 | GJP | 0.8817 |
113 | LP8 | 0.8815 |
114 | HRD | 0.8813 |
115 | 4KL | 0.8812 |
116 | 96U | 0.8810 |
117 | G12 | 0.8810 |
118 | CLZ | 0.8799 |
119 | NYJ | 0.8799 |
120 | 2J1 | 0.8796 |
121 | K44 | 0.8794 |
122 | 272 | 0.8789 |
123 | BZJ | 0.8789 |
124 | 774 | 0.8787 |
125 | BIK | 0.8785 |
126 | DY9 | 0.8784 |
127 | OAL | 0.8783 |
128 | WS6 | 0.8781 |
129 | P9I | 0.8778 |
130 | FLV | 0.8776 |
131 | T28 | 0.8775 |
132 | P4L | 0.8771 |
133 | EST | 0.8771 |
134 | AN3 | 0.8763 |
135 | 9OF | 0.8758 |
136 | 3GX | 0.8758 |
137 | ITE | 0.8757 |
138 | 226 | 0.8756 |
139 | MXX | 0.8751 |
140 | 4RU | 0.8750 |
141 | HBI | 0.8748 |
142 | YEX | 0.8748 |
143 | B21 | 0.8746 |
144 | OPA | 0.8742 |
145 | 1QV | 0.8740 |
146 | BPY | 0.8740 |
147 | W8L | 0.8740 |
148 | 3R4 | 0.8734 |
149 | YE7 | 0.8730 |
150 | 1V4 | 0.8727 |
151 | A73 | 0.8727 |
152 | OTA | 0.8725 |
153 | 1V1 | 0.8720 |
154 | PEY | 0.8716 |
155 | HRM | 0.8715 |
156 | PIQ | 0.8715 |
157 | CDJ | 0.8710 |
158 | 2V4 | 0.8708 |
159 | JG8 | 0.8706 |
160 | X0T | 0.8706 |
161 | VUP | 0.8706 |
162 | 2QU | 0.8704 |
163 | 609 | 0.8701 |
164 | PK3 | 0.8701 |
165 | IDZ | 0.8699 |
166 | H2W | 0.8696 |
167 | 20D | 0.8696 |
168 | COL | 0.8695 |
169 | X0U | 0.8695 |
170 | 3QV | 0.8688 |
171 | YZ9 | 0.8685 |
172 | M3W | 0.8678 |
173 | HBO | 0.8678 |
174 | X11 | 0.8676 |
175 | Z21 | 0.8669 |
176 | AMR | 0.8668 |
177 | 8HC | 0.8665 |
178 | 2FQ | 0.8665 |
179 | E9L | 0.8664 |
180 | 0FK | 0.8658 |
181 | 2MQ | 0.8657 |
182 | 3D8 | 0.8657 |
183 | VAR | 0.8656 |
184 | F2W | 0.8651 |
185 | 113 | 0.8643 |
186 | OAI | 0.8643 |
187 | 1X8 | 0.8643 |
188 | DFL | 0.8640 |
189 | JWS | 0.8630 |
190 | 39O | 0.8628 |
191 | 4E3 | 0.8627 |
192 | CKA | 0.8625 |
193 | K25 | 0.8620 |
194 | CLI | 0.8619 |
195 | 25F | 0.8616 |
196 | 7I2 | 0.8612 |
197 | 4AU | 0.8611 |
198 | 3WL | 0.8593 |
199 | ZRL | 0.8593 |
200 | 78Y | 0.8575 |
201 | AXX | 0.8561 |
202 | K2C | 0.8555 |
203 | 0UL | 0.8554 |
204 | KLV | 0.8526 |
This union binding pocket(no: 1) in the query (biounit: 6max.bio1) has 8 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |