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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 4 families. | |||||
1 | 2YC3 | ic50 = 0.14 uM | MW5 | C12 H9 Cl N4 O | c1ccc(cc1).... |
2 | 2YC5 | ic50 = 0.035 uM | 6BC | C14 H9 Cl N4 O | c1ccc(cc1).... |
3 | 4NAK | ic50 = 1.4 uM | PBQ | C10 H4 Br5 N O | c1c(cc(c(c.... |
4 | 2YCM | ic50 = 274 uM | 30A | C14 H10 Cl N3 O3 | c1ccc(cc1).... |
5 | 5MRP | ic50 = 3 uM | 6BC | C14 H9 Cl N4 O | c1ccc(cc1).... |
6 | 4NAN | ic50 = 19 uM | 2JM | C10 H5 Br4 N O | c1cc(c(c(c.... |
7 | 5MRM | ic50 = 9.3 uM | Q9T | C10 H4 Br2 F3 N O2 | c1c(cc(c(c.... |
8 | 1W77 | - | C5P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
9 | 4NAL | ic50 = 2.2 uM | H70 | C10 H4 Br3 Cl2 N O | c1c(cc(c(c.... |
10 | 5MRO | ic50 = 2 uM | Q9P | C12 H9 Cl N4 O | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 2YC3 | ic50 = 0.14 uM | MW5 | C12 H9 Cl N4 O | c1ccc(cc1).... |
2 | 2YC5 | ic50 = 0.035 uM | 6BC | C14 H9 Cl N4 O | c1ccc(cc1).... |
3 | 4NAK | ic50 = 1.4 uM | PBQ | C10 H4 Br5 N O | c1c(cc(c(c.... |
4 | 2YCM | ic50 = 274 uM | 30A | C14 H10 Cl N3 O3 | c1ccc(cc1).... |
5 | 5MRP | ic50 = 3 uM | 6BC | C14 H9 Cl N4 O | c1ccc(cc1).... |
6 | 4NAN | ic50 = 19 uM | 2JM | C10 H5 Br4 N O | c1cc(c(c(c.... |
7 | 5MRM | ic50 = 9.3 uM | Q9T | C10 H4 Br2 F3 N O2 | c1c(cc(c(c.... |
8 | 1W77 | - | C5P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | H70 | 0.9707 |
2 | BP3 | 0.9553 |
3 | CK1 | 0.9405 |
4 | N8Z | 0.9215 |
5 | BPY | 0.9193 |
6 | L13 | 0.9179 |
7 | BP6 | 0.9170 |
8 | CK2 | 0.9169 |
9 | 6HX | 0.9145 |
10 | 1WC | 0.9122 |
11 | SOV | 0.9100 |
12 | XDK | 0.9054 |
13 | 50C | 0.9040 |
14 | BNL | 0.9038 |
15 | TR4 | 0.8988 |
16 | B2T | 0.8986 |
17 | BY5 | 0.8984 |
18 | 46P | 0.8963 |
19 | N3W | 0.8958 |
20 | 9FG | 0.8943 |
21 | SQ7 | 0.8938 |
22 | B4O | 0.8935 |
23 | X48 | 0.8930 |
24 | 28A | 0.8925 |
25 | 5AD | 0.8921 |
26 | WOE | 0.8921 |
27 | TI7 | 0.8917 |
28 | 3RP | 0.8908 |
29 | 92G | 0.8894 |
30 | GVG | 0.8893 |
31 | JRB | 0.8891 |
32 | 977 | 0.8880 |
33 | WVV | 0.8878 |
34 | Q4G | 0.8855 |
35 | IQQ | 0.8847 |
36 | 2GD | 0.8843 |
37 | SQ4 | 0.8842 |
38 | U2Z | 0.8837 |
39 | MIL | 0.8835 |
40 | F16 | 0.8823 |
41 | 5CD | 0.8811 |
42 | L5D | 0.8810 |
43 | HNL | 0.8806 |
44 | KTJ | 0.8800 |
45 | 5UD | 0.8799 |
46 | 6J9 | 0.8799 |
47 | X6P | 0.8796 |
48 | B2Y | 0.8791 |
49 | AUV | 0.8786 |
50 | URI | 0.8786 |
51 | W29 | 0.8786 |
52 | KF5 | 0.8782 |
53 | N2Z | 0.8779 |
54 | 9FH | 0.8779 |
55 | JF6 | 0.8776 |
56 | 52C | 0.8775 |
57 | LJ3 | 0.8774 |
58 | HNH | 0.8769 |
59 | 22L | 0.8768 |
60 | TT4 | 0.8757 |
61 | 1XA | 0.8757 |
62 | GN6 | 0.8757 |
63 | BZE | 0.8751 |
64 | NCT | 0.8750 |
65 | NE1 | 0.8750 |
66 | BP7 | 0.8747 |
67 | A4T | 0.8745 |
68 | K80 | 0.8740 |
69 | EZN | 0.8739 |
70 | MPK | 0.8733 |
71 | A9P | 0.8729 |
72 | A7K | 0.8726 |
73 | 38B | 0.8725 |
74 | 4LV | 0.8718 |
75 | FCD | 0.8710 |
76 | ADN | 0.8710 |
77 | 4LW | 0.8709 |
78 | CH9 | 0.8707 |
79 | 4V2 | 0.8697 |
80 | TLF | 0.8694 |
81 | 15Q | 0.8694 |
82 | HQJ | 0.8691 |
83 | BQ5 | 0.8687 |
84 | PZ8 | 0.8677 |
85 | AMR | 0.8676 |
86 | 4XF | 0.8672 |
87 | 6J3 | 0.8671 |
88 | LFQ | 0.8665 |
89 | C2M | 0.8660 |
90 | A4N | 0.8658 |
91 | 49O | 0.8649 |
92 | 0NX | 0.8636 |
93 | 5AE | 0.8634 |
94 | 54E | 0.8632 |
95 | 6XI | 0.8630 |
96 | SHI | 0.8625 |
97 | IWD | 0.8624 |
98 | 26C | 0.8623 |
99 | 64I | 0.8622 |
100 | A9O | 0.8612 |
101 | CWD | 0.8611 |
102 | 1FL | 0.8608 |
103 | BWD | 0.8606 |
104 | 3D1 | 0.8604 |
105 | FTV | 0.8603 |
106 | CC5 | 0.8601 |
107 | NE2 | 0.8600 |
108 | 5F1 | 0.8599 |
109 | AMQ | 0.8596 |
110 | AVA | 0.8587 |
111 | 5VL | 0.8586 |
112 | 5FL | 0.8585 |
113 | 8UY | 0.8577 |
114 | HJH | 0.8573 |
115 | ID8 | 0.8573 |
116 | PIM | 0.8572 |
117 | FWD | 0.8568 |
118 | N1E | 0.8565 |
119 | DCZ | 0.8556 |
120 | 1SF | 0.8554 |
121 | KWB | 0.8552 |
122 | YZM | 0.8543 |
123 | P2L | 0.8535 |
124 | CJZ | 0.8534 |
125 | TB8 | 0.8527 |
126 | S2T | 0.8521 |
127 | C9E | 0.8518 |
128 | 3VX | 0.8514 |
This union binding pocket(no: 1) in the query (biounit: 2yc5.bio1) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2yc5.bio1) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |