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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 271 families. | |||||
1 | 6S5J | - | KW8 | C13 H16 N2 | CC[C@H]1c2.... |
2 | 6S5M | - | KWH | C14 H18 N2 | CCC[C@H]1c.... |
3 | 6S5Q | - | KWQ | C15 H20 N2 | CC(C)C[C@H.... |
4 | 6S5U | - | KWK | C15 H22 N2 | CC(C)CCNCC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 223 families. | |||||
1 | 6S5J | - | KW8 | C13 H16 N2 | CC[C@H]1c2.... |
2 | 6S5M | - | KWH | C14 H18 N2 | CCC[C@H]1c.... |
3 | 6S5Q | - | KWQ | C15 H20 N2 | CC(C)C[C@H.... |
4 | 6S5U | - | KWK | C15 H22 N2 | CC(C)CCNCC.... |
5 | 3V1S | - | 0LH | C10 H12 N2 | c1ccc2c(c1.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | WUB | 0.9315 |
2 | EV3 | 0.9307 |
3 | 2J2 | 0.9268 |
4 | 3C5 | 0.9227 |
5 | GNV | 0.9217 |
6 | GNY | 0.9173 |
7 | 7FF | 0.9168 |
8 | V2Z | 0.9143 |
9 | JXZ | 0.9132 |
10 | 8RK | 0.9119 |
11 | XM5 | 0.9099 |
12 | BZJ | 0.9097 |
13 | CX4 | 0.9086 |
14 | JXK | 0.9070 |
15 | X6W | 0.9062 |
16 | MMJ | 0.9060 |
17 | JHY | 0.9052 |
18 | VXX | 0.9042 |
19 | JXW | 0.9032 |
20 | 60L | 0.9027 |
21 | JYT | 0.9018 |
22 | GF4 | 0.9018 |
23 | JG8 | 0.9016 |
24 | F95 | 0.9005 |
25 | 9R5 | 0.9005 |
26 | GSY | 0.9004 |
27 | X0W | 0.9003 |
28 | JYK | 0.9000 |
29 | YZ9 | 0.8999 |
30 | I6G | 0.8979 |
31 | EGR | 0.8967 |
32 | 7MX | 0.8962 |
33 | VKE | 0.8955 |
34 | F2W | 0.8954 |
35 | PUE | 0.8951 |
36 | HBI | 0.8943 |
37 | OIA | 0.8932 |
38 | H05 | 0.8931 |
39 | CTN | 0.8926 |
40 | KBR | 0.8920 |
41 | URI | 0.8919 |
42 | CLI | 0.8914 |
43 | D2G | 0.8912 |
44 | 9FL | 0.8911 |
45 | TXW | 0.8910 |
46 | NAG | 0.8905 |
47 | XQK | 0.8904 |
48 | SRO | 0.8901 |
49 | 9UG | 0.8892 |
50 | DUR | 0.8882 |
51 | QMR | 0.8881 |
52 | XDE | 0.8876 |
53 | 6QF | 0.8872 |
54 | TWB | 0.8858 |
55 | JYW | 0.8850 |
56 | ANC | 0.8846 |
57 | GNM | 0.8837 |
58 | 2D3 | 0.8833 |
59 | 9CA | 0.8824 |
60 | CSN | 0.8822 |
61 | X11 | 0.8812 |
62 | 27K | 0.8804 |
63 | E7R | 0.8800 |
64 | JY2 | 0.8799 |
65 | 39Z | 0.8797 |
66 | 5GV | 0.8791 |
67 | 1IT | 0.8790 |
68 | 5RO | 0.8779 |
69 | C8O | 0.8778 |
70 | MS0 | 0.8777 |
71 | PRF | 0.8765 |
72 | NGO | 0.8749 |
73 | R8Y | 0.8746 |
74 | DX3 | 0.8745 |
75 | GC2 | 0.8743 |
76 | PQK | 0.8743 |
77 | AH6 | 0.8741 |
78 | JYB | 0.8739 |
79 | AH3 | 0.8737 |
80 | EN1 | 0.8734 |
81 | HQD | 0.8733 |
82 | BIK | 0.8724 |
83 | VYM | 0.8722 |
84 | I2E | 0.8716 |
85 | 0LH | 0.8716 |
86 | PF1 | 0.8709 |
87 | ADN | 0.8702 |
88 | JXT | 0.8699 |
89 | YKG | 0.8699 |
90 | AO6 | 0.8699 |
91 | D1G | 0.8698 |
92 | GTV | 0.8696 |
93 | FXH | 0.8694 |
94 | HNT | 0.8689 |
95 | P9T | 0.8687 |
96 | 8EQ | 0.8685 |
97 | AN3 | 0.8682 |
98 | APS | 0.8672 |
99 | 28S | 0.8667 |
100 | BCU | 0.8662 |
101 | W22 | 0.8660 |
102 | 9ZE | 0.8656 |
103 | F31 | 0.8651 |
104 | BK9 | 0.8647 |
105 | RVE | 0.8645 |
106 | XEN | 0.8639 |
107 | 4VY | 0.8638 |
108 | BPY | 0.8635 |
109 | RBV | 0.8634 |
110 | 5WU | 0.8629 |
111 | 2C2 | 0.8628 |
112 | ZYR | 0.8624 |
113 | 5QY | 0.8621 |
114 | 982 | 0.8617 |
115 | 6N4 | 0.8603 |
116 | NCT | 0.8602 |
117 | LNN | 0.8586 |
118 | DPT | 0.8579 |
119 | AVR | 0.8577 |
120 | GI3 | 0.8570 |
121 | ARP | 0.8553 |
122 | 3PF | 0.8551 |
123 | GHM | 0.8542 |
124 | NVU | 0.8539 |
125 | 9VZ | 0.8536 |
This union binding pocket(no: 1) in the query (biounit: 6s5m.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |