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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- 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 | JMQ | 0.9927 |
2 | B5A | 0.9145 |
3 | IMH | 0.9130 |
4 | CJZ | 0.9109 |
5 | UA2 | 0.9104 |
6 | ADN | 0.9097 |
7 | NOS | 0.9067 |
8 | X2M | 0.9046 |
9 | NXB | 0.9020 |
10 | THM | 0.9016 |
11 | 27M | 0.9013 |
12 | 3D1 | 0.9007 |
13 | 8P3 | 0.8982 |
14 | LI4 | 0.8972 |
15 | JA3 | 0.8959 |
16 | 5F1 | 0.8955 |
17 | 0DN | 0.8946 |
18 | 69K | 0.8941 |
19 | BNY | 0.8930 |
20 | CMP | 0.8914 |
21 | BC3 | 0.8898 |
22 | BGC BGC | 0.8896 |
23 | SNI | 0.8892 |
24 | 4WF | 0.8889 |
25 | 5AD | 0.8888 |
26 | C4F | 0.8885 |
27 | TCL | 0.8882 |
28 | GNG | 0.8881 |
29 | DIH | 0.8878 |
30 | 5CD | 0.8868 |
31 | ZJB | 0.8867 |
32 | 8DA | 0.8861 |
33 | 3L1 | 0.8855 |
34 | QRP | 0.8844 |
35 | IMV | 0.8832 |
36 | AD3 | 0.8828 |
37 | 5ID | 0.8823 |
38 | 5FD | 0.8819 |
39 | BZM | 0.8818 |
40 | 4K2 | 0.8814 |
41 | 6MD | 0.8811 |
42 | 3AK | 0.8810 |
43 | AX8 | 0.8808 |
44 | NQ7 | 0.8806 |
45 | ACK | 0.8797 |
46 | GMP | 0.8795 |
47 | CC5 | 0.8794 |
48 | KUP | 0.8782 |
49 | 6J3 | 0.8782 |
50 | KTM | 0.8779 |
51 | AFX | 0.8779 |
52 | 6SX | 0.8770 |
53 | URI | 0.8764 |
54 | XYA | 0.8760 |
55 | MHD GAL | 0.8759 |
56 | EXG | 0.8755 |
57 | QQY | 0.8754 |
58 | 0QV | 0.8753 |
59 | SP1 | 0.8752 |
60 | 2L2 | 0.8746 |
61 | FT3 | 0.8742 |
62 | TRP | 0.8735 |
63 | ID8 | 0.8734 |
64 | FT1 | 0.8732 |
65 | MDR | 0.8719 |
66 | A4V | 0.8719 |
67 | ITW | 0.8717 |
68 | TCC | 0.8714 |
69 | RP1 | 0.8713 |
70 | 7D7 | 0.8710 |
71 | Y3J | 0.8706 |
72 | 7WD | 0.8706 |
73 | FMB | 0.8706 |
74 | CL9 | 0.8704 |
75 | TO1 | 0.8702 |
76 | FTU | 0.8699 |
77 | MTA | 0.8696 |
78 | NOC | 0.8694 |
79 | NAL | 0.8692 |
80 | 6SW | 0.8685 |
81 | 7XX | 0.8683 |
82 | FT2 | 0.8681 |
83 | CC7 | 0.8677 |
84 | TBN | 0.8675 |
85 | RE4 | 0.8674 |
86 | 0OP | 0.8672 |
87 | 5N5 | 0.8672 |
88 | 3BH | 0.8668 |
89 | 5CJ | 0.8668 |
90 | 9ME | 0.8668 |
91 | FM2 | 0.8666 |
92 | Q9P | 0.8660 |
93 | EKH | 0.8657 |
94 | BMA IFM | 0.8656 |
95 | 7CH | 0.8655 |
96 | RPP | 0.8654 |
97 | 43F | 0.8651 |
98 | WG8 | 0.8648 |
99 | ARJ | 0.8648 |
100 | TLF | 0.8645 |
101 | 6SZ | 0.8641 |
102 | FB4 | 0.8639 |
103 | H4B | 0.8638 |
104 | 8HG | 0.8635 |
105 | XTS | 0.8628 |
106 | 2FA | 0.8628 |
107 | C5Q | 0.8628 |
108 | 6SY | 0.8623 |
109 | IWH | 0.8622 |
110 | A4D | 0.8620 |
111 | QS4 | 0.8619 |
112 | DMB | 0.8617 |
113 | 536 | 0.8612 |
114 | 9W7 | 0.8609 |
115 | SCE | 0.8597 |
116 | PU2 | 0.8586 |
117 | LFK | 0.8578 |
118 | MG7 | 0.8577 |
119 | SA0 | 0.8576 |
120 | UMP | 0.8569 |
121 | DBS | 0.8560 |
122 | DCF | 0.8546 |
123 | UAY | 0.8542 |
124 | T3P | 0.8531 |
125 | 2J5 | 0.8520 |
This union binding pocket(no: 1) in the query (biounit: 4i71.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1YOE | RIB | 33.5404 |
This union binding pocket(no: 2) in the query (biounit: 4i71.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |