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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 2 families. | |||||
1 | 3B9G | Ki = 19 uM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
2 | 3EPW | Ki = 4.4 nM | JMQ | C12 H16 N4 O4 | c1c(c2c([n.... |
3 | 2FF1 | Ki = 6.2 nM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
4 | 1KIC | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
5 | 1R4F | - | AD3 | C11 H14 N4 O4 | c1cnc(c2c1.... |
6 | 1KIE | - | AD3 | C11 H14 N4 O4 | c1cnc(c2c1.... |
7 | 3EPX | Ki = 10.8 nM | IMQ | C15 H18 N2 O3 | c1cc2cccnc.... |
8 | 1HP0 | Ki = 0.2 uM | AD3 | C11 H14 N4 O4 | c1cnc(c2c1.... |
9 | 2FF2 | Ki = 6.2 nM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
10 | 4I71 | Ki = 18 nM | AGV | C12 H17 N5 O3 | c1c(c2c([n.... |
11 | 4I74 | - | MBY | C12 H15 N3 O4 S | c1c(c2c(s1.... |
12 | 4I73 | Ki = 190 nM | MBY | C12 H15 N3 O4 S | c1c(c2c(s1.... |
13 | 4I72 | Ki = 0.9 nM | UA2 | C11 H15 N5 O3 | c1c(c2c([n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 3B9G | Ki = 19 uM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
2 | 3EPW | Ki = 4.4 nM | JMQ | C12 H16 N4 O4 | c1c(c2c([n.... |
3 | 2FF1 | Ki = 6.2 nM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
4 | 1KIC | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
5 | 1R4F | - | AD3 | C11 H14 N4 O4 | c1cnc(c2c1.... |
6 | 1KIE | - | AD3 | C11 H14 N4 O4 | c1cnc(c2c1.... |
7 | 3EPX | Ki = 10.8 nM | IMQ | C15 H18 N2 O3 | c1cc2cccnc.... |
8 | 1HP0 | Ki = 0.2 uM | AD3 | C11 H14 N4 O4 | c1cnc(c2c1.... |
9 | 2FF2 | Ki = 6.2 nM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
10 | 4I71 | Ki = 18 nM | AGV | C12 H17 N5 O3 | c1c(c2c([n.... |
11 | 4I74 | - | MBY | C12 H15 N3 O4 S | c1c(c2c(s1.... |
12 | 4I73 | Ki = 190 nM | MBY | C12 H15 N3 O4 S | c1c(c2c(s1.... |
13 | 4I72 | Ki = 0.9 nM | UA2 | C11 H15 N5 O3 | c1c(c2c([n.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | MBY | 0.9927 |
2 | IMQ | 0.9615 |
3 | ADN | 0.9222 |
4 | B5A | 0.9178 |
5 | IMH | 0.9119 |
6 | UA2 | 0.9109 |
7 | NXB | 0.9076 |
8 | NOS | 0.9063 |
9 | X2M | 0.9045 |
10 | 3D1 | 0.9026 |
11 | BC3 | 0.9021 |
12 | THM | 0.8986 |
13 | 5F1 | 0.8979 |
14 | C4F | 0.8970 |
15 | 69K | 0.8970 |
16 | 27M | 0.8968 |
17 | 0DN | 0.8958 |
18 | 5CD | 0.8950 |
19 | JA3 | 0.8943 |
20 | CMP | 0.8929 |
21 | FMC | 0.8928 |
22 | 4WF | 0.8922 |
23 | PE2 | 0.8920 |
24 | 6SX | 0.8916 |
25 | TCL | 0.8915 |
26 | 5AD | 0.8907 |
27 | 5FD | 0.8903 |
28 | 3L1 | 0.8899 |
29 | 8P3 | 0.8884 |
30 | GNG | 0.8883 |
31 | SNI | 0.8878 |
32 | QRP | 0.8873 |
33 | PRH | 0.8865 |
34 | KUP | 0.8857 |
35 | A18 | 0.8855 |
36 | 6MD | 0.8853 |
37 | 8DA | 0.8852 |
38 | MCY | 0.8852 |
39 | 1DA | 0.8844 |
40 | GMP | 0.8843 |
41 | P2L | 0.8840 |
42 | CC5 | 0.8829 |
43 | EXG | 0.8828 |
44 | 4K2 | 0.8828 |
45 | IMV | 0.8827 |
46 | 7CH | 0.8822 |
47 | AD3 | 0.8822 |
48 | NQ7 | 0.8806 |
49 | DE7 | 0.8802 |
50 | ARJ | 0.8794 |
51 | ACK | 0.8793 |
52 | AFX | 0.8791 |
53 | AX8 | 0.8790 |
54 | 0QV | 0.8783 |
55 | URI | 0.8780 |
56 | Y3J | 0.8778 |
57 | 6SZ | 0.8776 |
58 | FMB | 0.8771 |
59 | CFE | 0.8765 |
60 | 3G3 | 0.8761 |
61 | NAL | 0.8760 |
62 | TRP | 0.8757 |
63 | ZJB | 0.8753 |
64 | SP1 | 0.8753 |
65 | QQY | 0.8750 |
66 | PU2 | 0.8747 |
67 | A4V | 0.8747 |
68 | RP1 | 0.8742 |
69 | 5N5 | 0.8740 |
70 | RE4 | 0.8738 |
71 | 5ER | 0.8736 |
72 | QQX | 0.8735 |
73 | NOC | 0.8733 |
74 | MTA | 0.8733 |
75 | ITW | 0.8731 |
76 | 6SW | 0.8727 |
77 | 4EU | 0.8724 |
78 | A4D | 0.8718 |
79 | CL9 | 0.8716 |
80 | ID8 | 0.8715 |
81 | QS4 | 0.8714 |
82 | MHD GAL | 0.8713 |
83 | XYA | 0.8707 |
84 | C5Q | 0.8707 |
85 | MDR | 0.8705 |
86 | 6J3 | 0.8703 |
87 | HPR | 0.8701 |
88 | 8HG | 0.8696 |
89 | FT2 | 0.8691 |
90 | 5ID | 0.8690 |
91 | FT1 | 0.8690 |
92 | FM1 | 0.8685 |
93 | 94M | 0.8675 |
94 | PUR | 0.8675 |
95 | 3BH | 0.8674 |
96 | 7D7 | 0.8671 |
97 | FTU | 0.8665 |
98 | TBN | 0.8663 |
99 | FB4 | 0.8661 |
100 | RPP | 0.8660 |
101 | BZM | 0.8656 |
102 | IM5 | 0.8654 |
103 | MTP | 0.8653 |
104 | ZIQ | 0.8652 |
105 | 2L2 | 0.8650 |
106 | Q9P | 0.8648 |
107 | DMB | 0.8647 |
108 | FM2 | 0.8646 |
109 | GA2 | 0.8642 |
110 | 0QX | 0.8641 |
111 | 7WD | 0.8637 |
112 | DCF | 0.8633 |
113 | 5CJ | 0.8631 |
114 | H4B | 0.8621 |
115 | 2FA | 0.8621 |
116 | XTS | 0.8618 |
117 | WG8 | 0.8613 |
118 | 43F | 0.8612 |
119 | A | 0.8611 |
120 | DBM | 0.8596 |
121 | BMA IFM | 0.8592 |
122 | DBS | 0.8582 |
123 | IWH | 0.8576 |
124 | TDI | 0.8572 |
125 | F01 | 0.8570 |
126 | TAL | 0.8566 |
127 | EKH | 0.8555 |
128 | MZR | 0.8550 |
129 | T3P | 0.8542 |