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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 | 4BTJ | Kd = 25 uM | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
2 | 4BTK | Kd = 0.24 uM | DTQ | C16 H15 N3 O3 | COc1cc2c(c.... |
3 | 6VRF | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
4 | 4NFN | ic50 = 120 nM | 2KC | C19 H23 Br N6 O | CC1(CCN(CC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 70 families. | |||||
1 | 4XH0 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
2 | 4XHG | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
3 | 4KBA | ic50 = 6 nM | 1QM | C18 H17 F N4 O | Cn1cc(c(n1.... |
4 | 6HMP | ic50 = 218 nM | GEW | C32 H28 F2 N6 O3 | Cn1c(c(nc1.... |
5 | 5IH5 | ic50 = 0.5 uM | AUE | C12 H10 Cl N7 | c1cc(cc(c1.... |
6 | 5MQV | ic50 = 8 nM | D5Q | C29 H26 F N5 O3 S | Cn1cc(cc1C.... |
7 | 3UZP | - | 0CK | C19 H20 F N5 | c1cc(ccc1c.... |
8 | 5W4W | ic50 = 8 nM | 9WG | C18 H15 F N4 O | Cn1cc(c(n1.... |
9 | 4TW9 | ic50 = 0.02 uM | 386 | C20 H10 F5 N5 O5 S | c1ccc(c(c1.... |
10 | 5X17 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
11 | 6GZM | - | LCI | C18 H26 F N6 | Cn1c(c(cn1.... |
12 | 5IH6 | ic50 = 2.5 uM | AUG | C12 H10 Br N7 | c1cc(cc(c1.... |
13 | 3UYT | - | 0CK | C19 H20 F N5 | c1cc(ccc1c.... |
14 | 4KB8 | ic50 = 12.9 nM | 1QN | C17 H17 F N4 | CNCc1cc(cc.... |
15 | 4KBK | - | 1QG | C19 H19 F N4 O | Cn1cc(c(n1.... |
16 | 6HMR | ic50 = 2.36 nM | GE5 | C31 H26 F N5 O3 S | COc1ccc(c(.... |
17 | 4KBC | - | 1QJ | C15 H12 F N3 O | c1cc(ccc1c.... |
18 | 6F26 | ic50 = 0.024 uM | C9Z | C35 H34 F N5 O5 | CC(C)c1c(c.... |
19 | 4TWC | - | 37J | C20 H11 F6 N5 O3 S | c1ccc(c(c1.... |
20 | 4HNF | ic50 = 711 nM | 16W | C17 H18 Cl N5 O2 | c1cc(cc(c1.... |
21 | 4BTK | Kd = 0.24 uM | DTQ | C16 H15 N3 O3 | COc1cc2c(c.... |
22 | 6GZD | Kd = 9.8 nM | LCI | C18 H26 F N6 | Cn1c(c(cn1.... |
23 | 4NFN | ic50 = 120 nM | 2KC | C19 H23 Br N6 O | CC1(CCN(CC.... |
24 | 2CSN | Ki = 39 uM | CKI | C11 H12 Cl N3 O2 S | c1cc(c2ccn.... |
25 | 1CSN | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
26 | 4G17 | ic50 = 0.029 uM | 0VN | C18 H18 N4 | CC(C)(C)c1.... |
27 | 4G16 | ic50 = 0.14 uM | 0VM | C20 H12 F3 N5 O | c1cc(c(nc1.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 6XC | 0.9457 |
2 | 2H4 | 0.9346 |
3 | UI2 | 0.9162 |
4 | 6JM | 0.9159 |
5 | 3WL | 0.9153 |
6 | HUL | 0.9115 |
7 | QUE | 0.9111 |
8 | MYU | 0.9097 |
9 | S9T | 0.9068 |
10 | I0D | 0.9052 |
11 | MYC | 0.9002 |
12 | 7FC | 0.8999 |
13 | 658 | 0.8998 |
14 | X8I | 0.8992 |
15 | 0H5 | 0.8987 |
16 | R9T | 0.8985 |
17 | 40N | 0.8983 |
18 | 5WW | 0.8981 |
19 | FSE | 0.8980 |
20 | FZB | 0.8974 |
21 | 3G5 | 0.8961 |
22 | 1V4 | 0.8956 |
23 | D64 | 0.8939 |
24 | C95 | 0.8921 |
25 | FUN | 0.8918 |
26 | BJ4 | 0.8914 |
27 | W8L | 0.8912 |
28 | 1Q4 | 0.8907 |
29 | CDJ | 0.8905 |
30 | LU2 | 0.8905 |
31 | JTF | 0.8902 |
32 | 6QT | 0.8901 |
33 | E9L | 0.8901 |
34 | 6JO | 0.8900 |
35 | H2W | 0.8895 |
36 | FL8 | 0.8894 |
37 | HWB | 0.8892 |
38 | SGW | 0.8891 |
39 | KMP | 0.8885 |
40 | BHF | 0.8884 |
41 | 1V3 | 0.8882 |
42 | O9Q | 0.8879 |
43 | PMU | 0.8877 |
44 | M3W | 0.8875 |
45 | BRY | 0.8872 |
46 | YFE | 0.8871 |
47 | DX2 | 0.8871 |
48 | DH2 | 0.8870 |
49 | TQ4 | 0.8869 |
50 | IRH | 0.8868 |
51 | 7LU | 0.8868 |
52 | AIQ | 0.8852 |
53 | 196 | 0.8848 |
54 | SLX | 0.8848 |
55 | 34L | 0.8839 |
56 | YK9 | 0.8829 |
57 | P34 | 0.8826 |
58 | T5J | 0.8825 |
59 | 3DL | 0.8823 |
60 | J8G | 0.8816 |
61 | 5XM | 0.8815 |
62 | 3WN | 0.8814 |
63 | 3WO | 0.8814 |
64 | PZB | 0.8808 |
65 | JJ3 | 0.8805 |
66 | 1HP | 0.8797 |
67 | 3GX | 0.8796 |
68 | 338 | 0.8792 |
69 | GEN | 0.8791 |
70 | DEH | 0.8788 |
71 | SNJ | 0.8788 |
72 | 340 | 0.8782 |
73 | 69W | 0.8781 |
74 | T34 | 0.8781 |
75 | AGI | 0.8780 |
76 | 6FX | 0.8775 |
77 | 5NN | 0.8771 |
78 | AP6 | 0.8766 |
79 | 8EQ | 0.8762 |
80 | MT6 | 0.8762 |
81 | DQH | 0.8761 |
82 | 1R5 | 0.8761 |
83 | SU9 | 0.8760 |
84 | 3TI | 0.8757 |
85 | NVS | 0.8740 |
86 | MRI | 0.8738 |
87 | 0DF | 0.8732 |
88 | RDL | 0.8729 |
89 | 6B5 | 0.8728 |
90 | HAN | 0.8726 |
91 | PIQ | 0.8726 |
92 | VT3 | 0.8722 |
93 | 97K | 0.8721 |
94 | 018 | 0.8717 |
95 | AUE | 0.8716 |
96 | ZJB | 0.8714 |
97 | 6BK | 0.8714 |
98 | RC0 | 0.8710 |
99 | YJX | 0.8709 |
100 | DFV | 0.8707 |
101 | FNA | 0.8705 |
102 | LI7 | 0.8704 |
103 | 3WK | 0.8704 |
104 | 57D | 0.8700 |
105 | 20D | 0.8693 |
106 | CUE | 0.8693 |
107 | DN8 | 0.8690 |
108 | PE2 | 0.8689 |
109 | SAK | 0.8685 |
110 | 0DJ | 0.8684 |
111 | 21E | 0.8683 |
112 | BIT | 0.8682 |
113 | NAR | 0.8681 |
114 | AUG | 0.8677 |
115 | 5ZM | 0.8676 |
116 | 9YD | 0.8675 |
117 | H0V | 0.8673 |
118 | LI4 | 0.8672 |
119 | WST | 0.8672 |
120 | ISX | 0.8671 |
121 | T61 | 0.8667 |
122 | FX5 | 0.8662 |
123 | 1V8 | 0.8661 |
124 | 1BJ | 0.8653 |
125 | 8QH | 0.8652 |
126 | O9Z | 0.8648 |
127 | 2QV | 0.8648 |
128 | E3U | 0.8648 |
129 | 3RH | 0.8640 |
130 | 2QU | 0.8639 |
131 | 5P7 | 0.8635 |
132 | DFL | 0.8632 |
133 | O9T | 0.8629 |
134 | 8C1 | 0.8624 |
135 | RGK | 0.8622 |
136 | EBB | 0.8622 |
137 | 8V7 | 0.8621 |
138 | A73 | 0.8620 |
139 | E98 | 0.8612 |
140 | NYJ | 0.8610 |
141 | 6DQ | 0.8609 |
142 | B7H | 0.8606 |
143 | XYP XIM | 0.8600 |
144 | 3QI | 0.8598 |
145 | NIF | 0.8597 |
146 | 6XR | 0.8589 |
147 | JKN | 0.8588 |
148 | OUA | 0.8587 |
149 | BUX | 0.8584 |
150 | 3F4 | 0.8584 |
151 | CWE | 0.8584 |
152 | KXN | 0.8581 |
153 | FYK | 0.8581 |
154 | E92 | 0.8580 |
155 | 020 | 0.8578 |
156 | 4AJ | 0.8576 |
157 | LWS | 0.8575 |
158 | 9Y1 | 0.8568 |
159 | NKI | 0.8568 |
160 | DX6 | 0.8566 |
161 | 7M5 | 0.8565 |
162 | SZ5 | 0.8564 |
163 | 1FJ | 0.8563 |
164 | 3JC | 0.8560 |
165 | INR | 0.8550 |
166 | F40 | 0.8546 |
167 | 5EZ | 0.8542 |
168 | 25F | 0.8540 |
169 | GQE | 0.8537 |
170 | L7A | 0.8529 |
This union binding pocket(no: 1) in the query (biounit: 4btk.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |