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- Structure Biounit | Ligand Information
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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 21 families. | |||||
1 | 3QIN | Kd = 136 nM | P1Y | C13 H11 Br N2 O5 | COc1ccc(cc.... |
2 | 3HYF | ic50 = 1.2 uM | ON1 | C12 H8 Cl2 N2 O4 | c1cc(c(cc1.... |
3 | 3QIO | Kd = 144 nM | QID | C14 H10 N2 O5 S | c1ccc(cc1).... |
4 | 3K2P | Kd = 6 uM | JTH | C10 H12 O3 | CC(C)C1=CC.... |
5 | 4QAG | ic50 = 4.8 uM | F95 | C11 H8 O6 | c1cc(c(c2c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 21 families. | |||||
1 | 3QIN | Kd = 136 nM | P1Y | C13 H11 Br N2 O5 | COc1ccc(cc.... |
2 | 3HYF | ic50 = 1.2 uM | ON1 | C12 H8 Cl2 N2 O4 | c1cc(c(cc1.... |
3 | 3QIO | Kd = 144 nM | QID | C14 H10 N2 O5 S | c1ccc(cc1).... |
4 | 3K2P | Kd = 6 uM | JTH | C10 H12 O3 | CC(C)C1=CC.... |
5 | 4QAG | ic50 = 4.8 uM | F95 | C11 H8 O6 | c1cc(c(c2c.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | H05 | 0.9431 |
2 | EY7 | 0.9414 |
3 | P9T | 0.9386 |
4 | GTV | 0.9369 |
5 | KED | 0.9368 |
6 | YKG | 0.9349 |
7 | FUJ | 0.9343 |
8 | TWB | 0.9325 |
9 | 7SX | 0.9277 |
10 | IBM | 0.9243 |
11 | 9UG | 0.9233 |
12 | L8J | 0.9232 |
13 | VKE | 0.9230 |
14 | 3N4 | 0.9220 |
15 | EYA | 0.9212 |
16 | EYM | 0.9155 |
17 | 982 | 0.9151 |
18 | AO6 | 0.9143 |
19 | T6Z | 0.9138 |
20 | JYW | 0.9132 |
21 | 5WU | 0.9131 |
22 | 7FF | 0.9115 |
23 | JYK | 0.9104 |
24 | AVR | 0.9087 |
25 | M5N | 0.9083 |
26 | XM5 | 0.9081 |
27 | XJE | 0.9066 |
28 | FXH | 0.9066 |
29 | GO0 | 0.9060 |
30 | QMS | 0.9056 |
31 | JXK | 0.9053 |
32 | M3Q | 0.9048 |
33 | 8GK | 0.9045 |
34 | NLA | 0.9032 |
35 | 96R | 0.9025 |
36 | KWH | 0.9005 |
37 | TXW | 0.8965 |
38 | LZ2 | 0.8964 |
39 | 96U | 0.8962 |
40 | I6G | 0.8952 |
41 | KWQ | 0.8947 |
42 | GO1 | 0.8940 |
43 | JY2 | 0.8938 |
44 | JXW | 0.8938 |
45 | 5NS | 0.8930 |
46 | 67X | 0.8923 |
47 | EV3 | 0.8922 |
48 | I59 | 0.8915 |
49 | 790 | 0.8912 |
50 | VYM | 0.8909 |
51 | 5PX | 0.8907 |
52 | 2J9 | 0.8906 |
53 | TQU | 0.8894 |
54 | GNJ | 0.8889 |
55 | 3E2 | 0.8881 |
56 | 7ZC | 0.8879 |
57 | 8WZ | 0.8877 |
58 | 4KL | 0.8875 |
59 | GC2 | 0.8866 |
60 | JXZ | 0.8862 |
61 | SRO | 0.8860 |
62 | JYT | 0.8856 |
63 | FWB | 0.8852 |
64 | 1KP | 0.8847 |
65 | 7M6 | 0.8842 |
66 | GNV | 0.8839 |
67 | 772 | 0.8830 |
68 | E7R | 0.8825 |
69 | MHK | 0.8817 |
70 | FBG | 0.8812 |
71 | OTD | 0.8806 |
72 | BK9 | 0.8803 |
73 | ALN | 0.8803 |
74 | W22 | 0.8793 |
75 | C8O | 0.8791 |
76 | 2N0 | 0.8789 |
77 | LP8 | 0.8787 |
78 | ARP | 0.8784 |
79 | 67Y | 0.8783 |
80 | CKA | 0.8781 |
81 | TNF | 0.8780 |
82 | AC2 | 0.8779 |
83 | BB4 | 0.8779 |
84 | JR2 | 0.8778 |
85 | IOS | 0.8755 |
86 | MAG | 0.8752 |
87 | 8RK | 0.8752 |
88 | JAK | 0.8752 |
89 | 5OF | 0.8748 |
90 | 4VS | 0.8746 |
91 | TSR | 0.8744 |
92 | K68 | 0.8729 |
93 | UAN | 0.8728 |
94 | JHY | 0.8726 |
95 | NPL | 0.8723 |
96 | PLP | 0.8721 |
97 | XG1 | 0.8719 |
98 | CX4 | 0.8718 |
99 | APS | 0.8717 |
100 | SBK | 0.8715 |
101 | BZM | 0.8714 |
102 | KW8 | 0.8711 |
103 | K66 | 0.8708 |
104 | JTA | 0.8705 |
105 | L07 | 0.8705 |
106 | GSY | 0.8698 |
107 | WUB | 0.8698 |
108 | CSN | 0.8697 |
109 | MT8 | 0.8691 |
110 | NVU | 0.8689 |
111 | MXX | 0.8684 |
112 | D07 | 0.8680 |
113 | 6VD | 0.8679 |
114 | 5NE | 0.8679 |
115 | G1P | 0.8677 |
116 | 9F8 | 0.8671 |
117 | S0I | 0.8670 |
118 | HLZ | 0.8666 |
119 | O83 | 0.8666 |
120 | XFE | 0.8666 |
121 | DNC | 0.8660 |
122 | 2JK | 0.8657 |
123 | 25O | 0.8655 |
124 | B52 | 0.8645 |
125 | W8G | 0.8644 |
126 | K3Q | 0.8641 |
127 | 9LI | 0.8637 |
128 | 3TJ | 0.8636 |
129 | CRZ | 0.8630 |
130 | JKZ | 0.8629 |
131 | 7MX | 0.8627 |
132 | SG6 | 0.8625 |
133 | MYI | 0.8624 |
134 | ZON | 0.8618 |
135 | 0Q2 | 0.8612 |
136 | CFA | 0.8600 |
137 | EXL | 0.8595 |
138 | R6T | 0.8594 |
139 | 6DP | 0.8573 |
140 | 9AP | 0.8571 |
141 | UXH | 0.8555 |
142 | DU | 0.8547 |
143 | 5V7 | 0.8541 |
144 | M4B | 0.8541 |
145 | 226 | 0.8540 |
146 | TDH | 0.8539 |
147 | X8D | 0.8536 |
148 | D80 | 0.8533 |
149 | 30G | 0.8532 |
150 | LDR | 0.8521 |
This union binding pocket(no: 1) in the query (biounit: 4qag.bio2) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4qag.bio3) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4qag.bio3) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4qag.bio1) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |