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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 6 families. | |||||
1 | 6QGV | ic50 = 0.127 uM | J2H | C30 H28 N6 O2 | Cc1cccnc1C.... |
2 | 4JZR | ic50 = 15.8 nM | 4JR | C25 H28 N4 O | Cn1ccnc1CN.... |
3 | 4BQW | - | QNM | C13 H12 N2 O5 | CN1c2ccccc.... |
4 | 5LBC | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
5 | 6NMQ | ic50 = 0.00000001 M | KU1 | C11 H9 N3 O4 | c1ccc2c(c1.... |
6 | 4BQX | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
7 | 2Y34 | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
8 | 5L9R | - | OGA | C4 H5 N O5 | C(C(=O)O)N.... |
9 | 5LBF | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
10 | 6YW0 | - | 2JP | C13 H12 N2 O3 | c1ccc2cnc(.... |
11 | 4BQY | - | FNT | C13 H11 Cl N2 O4 | C[C@@H](C(.... |
12 | 5OX5 | ic50 = 2.6 uM | B2E | C9 H11 N3 O6 | CN1C(=C(C(.... |
13 | 5OX6 | ic50 = 0.029 uM | A1Z | C14 H11 Cl N2 O4 | c1cc(cc(c1.... |
14 | 6YVZ | - | PW8 | C13 H11 Br N2 O3 | c1cc2cnc(c.... |
15 | 5LAT | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
16 | 5V18 | - | 8UY | C13 H8 N4 | c1cc(n2c(c.... |
17 | 6YVW | - | PW5 | C11 H13 Br N2 O3 | Cc1cc(nc(c.... |
18 | 2G1M | - | 4HG | C12 H9 I N2 O4 | c1cc2c(cnc.... |
19 | 6ST3 | ic50 = 0.256 uM | LUW | C21 H17 N5 O3 | c1ccc(cc1).... |
20 | 2Y33 | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
21 | 5LB6 | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
22 | 6YVX | - | 2JP | C13 H12 N2 O3 | c1ccc2cnc(.... |
23 | 2G19 | - | 4HG | C12 H9 I N2 O4 | c1cc2c(cnc.... |
24 | 5LBE | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
25 | 4UWD | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
26 | 5LBB | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
27 | 5V1B | ic50 = 0.034 uM | 8UY | C13 H8 N4 | c1cc(n2c(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 6 families. | |||||
1 | 6QGV | ic50 = 0.127 uM | J2H | C30 H28 N6 O2 | Cc1cccnc1C.... |
2 | 4JZR | ic50 = 15.8 nM | 4JR | C25 H28 N4 O | Cn1ccnc1CN.... |
3 | 4BQW | - | QNM | C13 H12 N2 O5 | CN1c2ccccc.... |
4 | 5LBC | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
5 | 6NMQ | ic50 = 0.00000001 M | KU1 | C11 H9 N3 O4 | c1ccc2c(c1.... |
6 | 4BQX | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
7 | 2Y34 | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
8 | 5L9R | - | OGA | C4 H5 N O5 | C(C(=O)O)N.... |
9 | 5LBF | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
10 | 6YW0 | - | 2JP | C13 H12 N2 O3 | c1ccc2cnc(.... |
11 | 4BQY | - | FNT | C13 H11 Cl N2 O4 | C[C@@H](C(.... |
12 | 5OX5 | ic50 = 2.6 uM | B2E | C9 H11 N3 O6 | CN1C(=C(C(.... |
13 | 5OX6 | ic50 = 0.029 uM | A1Z | C14 H11 Cl N2 O4 | c1cc(cc(c1.... |
14 | 6YVZ | - | PW8 | C13 H11 Br N2 O3 | c1cc2cnc(c.... |
15 | 5LAT | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
16 | 5V18 | - | 8UY | C13 H8 N4 | c1cc(n2c(c.... |
17 | 6YVW | - | PW5 | C11 H13 Br N2 O3 | Cc1cc(nc(c.... |
18 | 2G1M | - | 4HG | C12 H9 I N2 O4 | c1cc2c(cnc.... |
19 | 6ST3 | ic50 = 0.256 uM | LUW | C21 H17 N5 O3 | c1ccc(cc1).... |
20 | 2Y33 | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
21 | 5LB6 | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
22 | 6YVX | - | 2JP | C13 H12 N2 O3 | c1ccc2cnc(.... |
23 | 2G19 | - | 4HG | C12 H9 I N2 O4 | c1cc2c(cnc.... |
24 | 5LBE | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
25 | 4UWD | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
26 | 5LBB | - | UN9 | C12 H9 Cl N2 O4 | c1ccc2c(c1.... |
27 | 5V1B | ic50 = 0.034 uM | 8UY | C13 H8 N4 | c1cc(n2c(c.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | RKY | 0.9498 |
2 | 00G | 0.9340 |
3 | A64 | 0.9329 |
4 | F41 | 0.9302 |
5 | OAQ | 0.9277 |
6 | 88S | 0.9252 |
7 | 08C | 0.9231 |
8 | F36 | 0.9223 |
9 | QAD | 0.9206 |
10 | C0V | 0.9145 |
11 | 0RB | 0.9142 |
12 | 06R | 0.9131 |
13 | L43 | 0.9124 |
14 | XAV | 0.9092 |
15 | KU1 | 0.9091 |
16 | SAQ | 0.9089 |
17 | FNT | 0.9085 |
18 | BZH | 0.9083 |
19 | BXS | 0.9069 |
20 | LIT | 0.9045 |
21 | ENY | 0.9043 |
22 | 97K | 0.9040 |
23 | K3T | 0.9038 |
24 | EBB | 0.9034 |
25 | TFX | 0.9030 |
26 | 0RY | 0.9025 |
27 | 4ZW | 0.9021 |
28 | 5MX | 0.9014 |
29 | 0XR | 0.9011 |
30 | 856 | 0.9008 |
31 | PW5 | 0.9001 |
32 | UN9 | 0.9000 |
33 | ESJ | 0.8997 |
34 | BGK | 0.8981 |
35 | 5EZ | 0.8971 |
36 | 7KE | 0.8967 |
37 | N5B | 0.8966 |
38 | K8Y | 0.8958 |
39 | JVD | 0.8958 |
40 | F91 | 0.8956 |
41 | RF2 | 0.8956 |
42 | 4YE | 0.8952 |
43 | J1K | 0.8946 |
44 | Q92 | 0.8944 |
45 | Z3R | 0.8943 |
46 | 0RA | 0.8942 |
47 | 35K | 0.8942 |
48 | 1VG | 0.8939 |
49 | H0V | 0.8922 |
50 | OYQ | 0.8919 |
51 | GN5 | 0.8917 |
52 | G2V | 0.8912 |
53 | 68C | 0.8896 |
54 | G30 | 0.8889 |
55 | D87 | 0.8888 |
56 | TVC | 0.8884 |
57 | 9RK | 0.8883 |
58 | HTK | 0.8883 |
59 | 9PP | 0.8882 |
60 | 9X0 | 0.8882 |
61 | UMP | 0.8880 |
62 | 86B | 0.8879 |
63 | 1Q2 | 0.8877 |
64 | 55H | 0.8876 |
65 | HPX | 0.8873 |
66 | A63 | 0.8855 |
67 | L02 | 0.8851 |
68 | 6FX | 0.8850 |
69 | PB2 | 0.8847 |
70 | M16 | 0.8846 |
71 | 4HG | 0.8846 |
72 | 122 | 0.8838 |
73 | BMZ | 0.8838 |
74 | CR4 | 0.8838 |
75 | F38 | 0.8832 |
76 | 5HG | 0.8832 |
77 | GJW | 0.8831 |
78 | KWK | 0.8827 |
79 | 120 | 0.8826 |
80 | 7SB | 0.8826 |
81 | 1GO | 0.8819 |
82 | 72H | 0.8817 |
83 | 801 | 0.8812 |
84 | IXG | 0.8804 |
85 | Q2S | 0.8792 |
86 | 0DJ | 0.8783 |
87 | ALJ | 0.8779 |
88 | MT6 | 0.8777 |
89 | M29 | 0.8776 |
90 | OT4 | 0.8774 |
91 | RYJ | 0.8760 |
92 | NZ4 | 0.8759 |
93 | LWA | 0.8755 |
94 | NVS | 0.8750 |
95 | HDI | 0.8749 |
96 | OSY | 0.8749 |
97 | KWD | 0.8749 |
98 | HPK | 0.8745 |
99 | A9E | 0.8743 |
100 | TRP GLY | 0.8742 |
101 | 3O5 | 0.8741 |
102 | KWV | 0.8739 |
103 | VFJ | 0.8732 |
104 | 3Q0 | 0.8730 |
105 | A8D | 0.8729 |
106 | K4T | 0.8729 |
107 | GJE | 0.8725 |
108 | VGV | 0.8715 |
109 | 23M | 0.8714 |
110 | MBT | 0.8711 |
111 | TEF | 0.8701 |
112 | JCL | 0.8701 |
113 | 4VC | 0.8698 |
114 | 3NB | 0.8690 |
115 | GVI | 0.8686 |
116 | M62 | 0.8682 |
117 | 6DH | 0.8682 |
118 | 576 | 0.8680 |
119 | D26 | 0.8680 |
120 | 5UN | 0.8674 |
121 | BMC | 0.8669 |
122 | WG8 | 0.8668 |
123 | IGP | 0.8659 |
124 | A05 | 0.8650 |
125 | WF4 | 0.8650 |
126 | JYN | 0.8643 |
127 | N9M | 0.8635 |
128 | 32F | 0.8631 |
129 | SJK | 0.8627 |
130 | LC1 | 0.8613 |
131 | ZUF | 0.8610 |
132 | 5SJ | 0.8605 |
133 | 41L | 0.8603 |
134 | CT0 | 0.8601 |
135 | 124 | 0.8597 |
136 | S6I | 0.8591 |
137 | SJR | 0.8587 |
138 | J2N | 0.8560 |
139 | A9B | 0.8557 |
140 | D8W | 0.8535 |
141 | S38 | 0.8516 |