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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 101 families. | |||||
1 | 6YA6 | - | 0SX | C14 H12 Cl N3 O2 | c1cc2c(cc1.... |
2 | 4F99 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
3 | 4F9C | - | 0SX | C14 H12 Cl N3 O2 | c1cc2c(cc1.... |
4 | 4F9B | - | 0SY | C12 H11 N3 O | c1cnccc1c2.... |
5 | 4F9A | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
6 | 6YA8 | - | ADP BEF | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 70 families. | |||||
1 | 6YA6 | - | 0SX | C14 H12 Cl N3 O2 | c1cc2c(cc1.... |
2 | 4F99 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
3 | 4F9C | - | 0SX | C14 H12 Cl N3 O2 | c1cc2c(cc1.... |
4 | 4F9B | - | 0SY | C12 H11 N3 O | c1cnccc1c2.... |
5 | 4F9A | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
6 | 6YA8 | - | ADP BEF | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 0SX | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 2LW | 0.9361 |
2 | SU9 | 0.9336 |
3 | 22T | 0.9297 |
4 | 74Z | 0.9238 |
5 | KMP | 0.9176 |
6 | BHF | 0.9173 |
7 | 5KN | 0.9162 |
8 | 34L | 0.9137 |
9 | D80 | 0.9080 |
10 | 6XC | 0.9065 |
11 | HWB | 0.9056 |
12 | FX5 | 0.9056 |
13 | WUL | 0.9050 |
14 | 69W | 0.9044 |
15 | PZB | 0.9040 |
16 | KXN | 0.9032 |
17 | FSE | 0.9024 |
18 | LI7 | 0.9006 |
19 | DX7 | 0.9006 |
20 | ET0 | 0.9006 |
21 | NIF | 0.9005 |
22 | K8W | 0.8990 |
23 | 9XZ | 0.8988 |
24 | Q8D | 0.8987 |
25 | 1CE | 0.8982 |
26 | 4RV | 0.8981 |
27 | L07 | 0.8978 |
28 | 52F | 0.8974 |
29 | 761 | 0.8970 |
30 | EV2 | 0.8969 |
31 | 0MB | 0.8966 |
32 | LIG | 0.8962 |
33 | 3XL | 0.8959 |
34 | 1V4 | 0.8958 |
35 | QUE | 0.8955 |
36 | JVD | 0.8953 |
37 | TCR | 0.8952 |
38 | YE7 | 0.8942 |
39 | 39Z | 0.8937 |
40 | CUE | 0.8936 |
41 | Q8G | 0.8934 |
42 | DQH | 0.8934 |
43 | U5P | 0.8928 |
44 | EY7 | 0.8920 |
45 | IQZ | 0.8920 |
46 | BL6 | 0.8917 |
47 | JTF | 0.8915 |
48 | 6JO | 0.8909 |
49 | MRI | 0.8907 |
50 | D87 | 0.8902 |
51 | ADL | 0.8895 |
52 | KU1 | 0.8894 |
53 | DX2 | 0.8891 |
54 | CC6 | 0.8890 |
55 | YZ9 | 0.8885 |
56 | HKK | 0.8884 |
57 | 62D | 0.8881 |
58 | XG1 | 0.8880 |
59 | GNJ | 0.8880 |
60 | 8RK | 0.8878 |
61 | 3WL | 0.8878 |
62 | ML2 | 0.8861 |
63 | C09 | 0.8859 |
64 | BRY | 0.8856 |
65 | 0H5 | 0.8855 |
66 | MYC | 0.8853 |
67 | 1EL | 0.8849 |
68 | AXX | 0.8841 |
69 | 49P | 0.8841 |
70 | JHY | 0.8841 |
71 | 4HG | 0.8838 |
72 | S0J | 0.8835 |
73 | 1V3 | 0.8834 |
74 | 18E | 0.8833 |
75 | E3U | 0.8829 |
76 | MYU | 0.8828 |
77 | EYM | 0.8824 |
78 | GNV | 0.8816 |
79 | P4L | 0.8814 |
80 | VKE | 0.8809 |
81 | UN9 | 0.8808 |
82 | 108 | 0.8799 |
83 | F40 | 0.8798 |
84 | UMP | 0.8797 |
85 | UN3 | 0.8796 |
86 | 4AU | 0.8793 |
87 | 9KZ | 0.8787 |
88 | 40N | 0.8786 |
89 | 3QI | 0.8786 |
90 | DH2 | 0.8783 |
91 | J8G | 0.8780 |
92 | AGI | 0.8778 |
93 | HC8 | 0.8775 |
94 | 1AJ | 0.8772 |
95 | 4E2 | 0.8771 |
96 | 272 | 0.8770 |
97 | K4T | 0.8769 |
98 | DDC | 0.8765 |
99 | 27M | 0.8764 |
100 | 2GQ | 0.8762 |
101 | 3DE | 0.8757 |
102 | NAR | 0.8756 |
103 | 1R5 | 0.8753 |
104 | RKY | 0.8751 |
105 | SDN | 0.8750 |
106 | 3AK | 0.8750 |
107 | X2L | 0.8749 |
108 | AZN | 0.8749 |
109 | 0UL | 0.8749 |
110 | LU2 | 0.8747 |
111 | 6QT | 0.8746 |
112 | YE6 | 0.8744 |
113 | 6JM | 0.8742 |
114 | X2M | 0.8740 |
115 | AO | 0.8738 |
116 | OTA | 0.8738 |
117 | KM2 | 0.8737 |
118 | A05 | 0.8737 |
119 | FNT | 0.8733 |
120 | 20D | 0.8731 |
121 | A0O | 0.8731 |
122 | A73 | 0.8728 |
123 | DT7 | 0.8727 |
124 | D25 | 0.8727 |
125 | 5WK | 0.8727 |
126 | A8D | 0.8727 |
127 | NPS | 0.8725 |
128 | EY2 | 0.8725 |
129 | SNJ | 0.8725 |
130 | PIQ | 0.8723 |
131 | HY7 | 0.8722 |
132 | 517 | 0.8718 |
133 | 2PW | 0.8717 |
134 | OAL | 0.8714 |
135 | L1T | 0.8714 |
136 | 0LA | 0.8713 |
137 | KWV | 0.8713 |
138 | AJ1 | 0.8710 |
139 | CX4 | 0.8709 |
140 | 5SB | 0.8707 |
141 | GNY | 0.8707 |
142 | IQ5 | 0.8704 |
143 | 19E | 0.8700 |
144 | NRA | 0.8699 |
145 | 0DF | 0.8699 |
146 | S62 | 0.8698 |
147 | 57D | 0.8693 |
148 | HA6 | 0.8692 |
149 | OAQ | 0.8692 |
150 | 9CE | 0.8689 |
151 | 25F | 0.8685 |
152 | DFL | 0.8684 |
153 | CKA | 0.8682 |
154 | 3JC | 0.8680 |
155 | 1V1 | 0.8679 |
156 | 1Q4 | 0.8678 |
157 | LP8 | 0.8672 |
158 | P83 | 0.8669 |
159 | JTA | 0.8668 |
160 | 2UD | 0.8667 |
161 | AQN | 0.8667 |
162 | 0OK | 0.8661 |
163 | IRH | 0.8660 |
164 | KCH | 0.8658 |
165 | 3RH | 0.8658 |
166 | 1XS | 0.8657 |
167 | FZ0 | 0.8657 |
168 | 4QX | 0.8653 |
169 | 0LO | 0.8653 |
170 | RDT | 0.8643 |
171 | 1FE | 0.8642 |
172 | DX8 | 0.8641 |
173 | RF2 | 0.8640 |
174 | II4 | 0.8639 |
175 | ML1 | 0.8637 |
176 | DFV | 0.8634 |
177 | OAI | 0.8632 |
178 | 4R0 | 0.8630 |
179 | BVD | 0.8626 |
180 | 5EZ | 0.8626 |
181 | 7G2 | 0.8625 |
182 | RHN | 0.8625 |
183 | QR2 | 0.8623 |
184 | WLH | 0.8623 |
185 | HH6 | 0.8621 |
186 | JOB | 0.8621 |
187 | YEX | 0.8620 |
188 | OPA | 0.8620 |
189 | 1HP | 0.8620 |
190 | NVS | 0.8618 |
191 | J1K | 0.8616 |
192 | BBP | 0.8615 |
193 | Q5M | 0.8612 |
194 | 5B2 | 0.8612 |
195 | V2Z | 0.8606 |
196 | 6JJ | 0.8603 |
197 | LC1 | 0.8599 |
198 | 3F4 | 0.8598 |
199 | HRM | 0.8598 |
200 | P34 | 0.8596 |
201 | C5P | 0.8592 |
202 | 5NN | 0.8589 |
203 | J38 | 0.8589 |
204 | 7LU | 0.8586 |
205 | U7E | 0.8583 |
206 | AX1 | 0.8583 |
207 | AFT | 0.8583 |
208 | 5DE | 0.8583 |
209 | HHB | 0.8582 |
210 | 5E2 | 0.8580 |
211 | 2QU | 0.8578 |
212 | 28S | 0.8571 |
213 | 7EH | 0.8568 |
214 | LZJ | 0.8566 |
215 | M78 | 0.8565 |
216 | SZ5 | 0.8563 |
217 | 79X | 0.8556 |
218 | TVC | 0.8552 |
219 | 1OT | 0.8551 |
220 | 8CC | 0.8518 |
221 | 78P | 0.8517 |
222 | C4E | 0.8517 |