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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 12 families. | |||||
1 | 1AER | - | TAD | C20 H27 N7 O13 P2 S | c1c(nc(s1).... |
2 | 1XK9 | Ki = 140 nM | P34 | C17 H17 N3 O2 | CN(C)CC(=O.... |
3 | 6EDG | - | P34 | C17 H17 N3 O2 | CN(C)CC(=O.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 3NY6 | - | V30 | C12 H15 N3 O3 S2 | Cc1c(sc2c1.... |
2 | 3ESS | ic50 = 411 nM | 18N | C12 H7 N O2 | c1cc2cccc3.... |
3 | 2Q6M | Kd = 0.51 uM | P34 | C17 H17 N3 O2 | CN(C)CC(=O.... |
4 | 1AER | - | TAD | C20 H27 N7 O13 P2 S | c1c(nc(s1).... |
5 | 1XK9 | Ki = 140 nM | P34 | C17 H17 N3 O2 | CN(C)CC(=O.... |
6 | 6EDG | - | P34 | C17 H17 N3 O2 | CN(C)CC(=O.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | P34 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 5TQ | 0.9314 |
2 | OAQ | 0.9222 |
3 | IRH | 0.9175 |
4 | 9X0 | 0.9159 |
5 | QUE | 0.9117 |
6 | OUA | 0.9106 |
7 | KMP | 0.9101 |
8 | OUG | 0.9097 |
9 | 5MX | 0.9096 |
10 | 338 | 0.9078 |
11 | FO2 | 0.9063 |
12 | BHF | 0.9060 |
13 | J8G | 0.9049 |
14 | BZC | 0.9048 |
15 | HWB | 0.9046 |
16 | 3TI | 0.9033 |
17 | 0RB | 0.9032 |
18 | MYU | 0.9032 |
19 | DH2 | 0.9030 |
20 | M16 | 0.8997 |
21 | QAD | 0.8996 |
22 | 7LU | 0.8984 |
23 | 64F | 0.8982 |
24 | 0O7 | 0.8979 |
25 | C96 | 0.8962 |
26 | LU2 | 0.8952 |
27 | MYC | 0.8951 |
28 | OT4 | 0.8945 |
29 | 2UV | 0.8938 |
30 | MRI | 0.8933 |
31 | 7FC | 0.8931 |
32 | BO1 | 0.8924 |
33 | H32 | 0.8920 |
34 | 5XK | 0.8919 |
35 | 34L | 0.8918 |
36 | OSY | 0.8916 |
37 | X8E | 0.8910 |
38 | F08 | 0.8909 |
39 | NAR | 0.8906 |
40 | SDN | 0.8898 |
41 | CWE | 0.8895 |
42 | 32F | 0.8889 |
43 | 6B5 | 0.8884 |
44 | 76Z | 0.8881 |
45 | A64 | 0.8879 |
46 | 6JP | 0.8872 |
47 | T5J | 0.8870 |
48 | 1V0 | 0.8868 |
49 | 1UR | 0.8868 |
50 | DQH | 0.8867 |
51 | AGI | 0.8855 |
52 | SNP | 0.8853 |
53 | 8E3 | 0.8850 |
54 | 29F | 0.8845 |
55 | 6JM | 0.8842 |
56 | 06R | 0.8838 |
57 | 907 | 0.8835 |
58 | KWD | 0.8835 |
59 | FX5 | 0.8831 |
60 | SAK | 0.8831 |
61 | 3JD | 0.8830 |
62 | 6BK | 0.8828 |
63 | J8D | 0.8827 |
64 | BUX | 0.8827 |
65 | DTQ | 0.8826 |
66 | 8EC | 0.8826 |
67 | RNP | 0.8825 |
68 | GJW | 0.8824 |
69 | BBO | 0.8824 |
70 | X2L | 0.8821 |
71 | O9T | 0.8821 |
72 | J2W | 0.8820 |
73 | ECZ | 0.8815 |
74 | 334 | 0.8812 |
75 | 5EZ | 0.8810 |
76 | TCW | 0.8809 |
77 | 5WW | 0.8808 |
78 | 8E6 | 0.8804 |
79 | PW8 | 0.8803 |
80 | C17 | 0.8799 |
81 | HUL | 0.8798 |
82 | GA6 | 0.8796 |
83 | IY5 | 0.8795 |
84 | KXN | 0.8794 |
85 | O9Q | 0.8791 |
86 | 2ZI | 0.8789 |
87 | MXM | 0.8785 |
88 | YEX | 0.8782 |
89 | X8I | 0.8779 |
90 | 1UW | 0.8779 |
91 | 0NH | 0.8777 |
92 | TOL | 0.8776 |
93 | BL4 | 0.8776 |
94 | 3WL | 0.8776 |
95 | 6X1 | 0.8773 |
96 | O9Z | 0.8772 |
97 | PMU | 0.8769 |
98 | 3G5 | 0.8768 |
99 | 1CE | 0.8766 |
100 | F36 | 0.8765 |
101 | 7FZ | 0.8764 |
102 | 4HG | 0.8763 |
103 | KC6 | 0.8761 |
104 | WUL | 0.8754 |
105 | FNT | 0.8751 |
106 | 2OO | 0.8749 |
107 | NU3 | 0.8742 |
108 | 57U | 0.8737 |
109 | D64 | 0.8737 |
110 | 35K | 0.8735 |
111 | SGW | 0.8734 |
112 | 4KN | 0.8732 |
113 | 0H5 | 0.8730 |
114 | C3G | 0.8729 |
115 | 123 | 0.8727 |
116 | EBB | 0.8724 |
117 | MRE | 0.8724 |
118 | BJ4 | 0.8723 |
119 | F70 | 0.8722 |
120 | 1R5 | 0.8719 |
121 | Q7U | 0.8718 |
122 | 1UA | 0.8717 |
123 | 1V8 | 0.8716 |
124 | 6XR | 0.8712 |
125 | GN5 | 0.8709 |
126 | DN8 | 0.8705 |
127 | YJX | 0.8701 |
128 | 4B8 | 0.8698 |
129 | S1C | 0.8697 |
130 | 1UT | 0.8690 |
131 | 97K | 0.8689 |
132 | 797 | 0.8689 |
133 | 5XM | 0.8679 |
134 | UN9 | 0.8678 |
135 | 802 | 0.8677 |
136 | B06 | 0.8677 |
137 | 0HV | 0.8675 |
138 | HCC | 0.8671 |
139 | MN QAY | 0.8670 |
140 | 4AJ | 0.8670 |
141 | DX8 | 0.8665 |
142 | 6QX | 0.8665 |
143 | 68C | 0.8664 |
144 | FSE | 0.8661 |
145 | CC6 | 0.8660 |
146 | 9PP | 0.8660 |
147 | OSG | 0.8659 |
148 | 3XL | 0.8658 |
149 | C95 | 0.8656 |
150 | 8M5 | 0.8653 |
151 | YK9 | 0.8652 |
152 | 3MI | 0.8652 |
153 | AO | 0.8650 |
154 | D7D | 0.8649 |
155 | Q11 | 0.8644 |
156 | 6FX | 0.8643 |
157 | 08C | 0.8641 |
158 | KWK | 0.8638 |
159 | XZ1 | 0.8637 |
160 | PNW | 0.8631 |
161 | E3U | 0.8630 |
162 | 5LP | 0.8628 |
163 | M3W | 0.8625 |
164 | IE6 | 0.8625 |
165 | AX1 | 0.8621 |
166 | 36K | 0.8616 |
167 | 79X | 0.8615 |
168 | A63 | 0.8615 |
169 | PNJ | 0.8613 |
170 | 74Z | 0.8609 |
171 | TXS | 0.8609 |
172 | Q12 | 0.8608 |
173 | F38 | 0.8607 |
174 | 88S | 0.8606 |
175 | ICD | 0.8605 |
176 | W2E | 0.8600 |
177 | Q92 | 0.8598 |
178 | 0SX | 0.8596 |
179 | 57D | 0.8593 |
180 | ML1 | 0.8592 |
181 | O53 | 0.8589 |
182 | QDR | 0.8589 |
183 | 68Q | 0.8588 |
184 | 6XC | 0.8582 |
185 | HAN | 0.8581 |
186 | 3JC | 0.8580 |
187 | 5YA | 0.8579 |
188 | E9L | 0.8579 |
189 | DX2 | 0.8579 |
190 | OSD | 0.8576 |
191 | 2QV | 0.8574 |
192 | FL8 | 0.8571 |
193 | 3RC | 0.8569 |
194 | A92 | 0.8567 |
195 | K8W | 0.8563 |
196 | 041 | 0.8560 |
197 | 3I6 | 0.8555 |
198 | JZR | 0.8554 |
199 | 6JO | 0.8554 |
200 | CDJ | 0.8552 |
201 | AP6 | 0.8534 |
202 | 147 | 0.8511 |
This union binding pocket(no: 1) in the query (biounit: 1xk9.bio2) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4BUY | F37 | None |
This union binding pocket(no: 2) in the query (biounit: 1xk9.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1TOX | NAD | 26.0465 |