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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 26 families. | |||||
1 | 5H17 | ic50 = 0.89 uM | LQE | C23 H29 N O2 | CN1C[C@H](.... |
2 | 5U5T | ic50 = 3.9 uM | 7W7 | C14 H19 N3 O2 | [H]/N=C(/N.... |
3 | 5H19 | ic50 = 0.32 uM | LQF | C22 H20 N6 O | c1ccc(cc1).... |
4 | 5H24 | - | LQG | C12 H9 N5 O | c1cc(oc1)C.... |
5 | 5GSA | Kd = 82.5 nM | 73K | C17 H15 N5 O3 S | CS(=O)(=O).... |
6 | 5H14 | ic50 = 8.76 uM | LQB | C20 H20 N4 O2 | Cc1cc(n(n1.... |
7 | 5U62 | ic50 = 1.3 uM | 7WD | C15 H17 N3 O2 | c1cc(c2c(c.... |
8 | 5WUK | Kd = 14 nM | 73K | C17 H15 N5 O3 S | CS(=O)(=O).... |
9 | 5H15 | ic50 = 1.57 uM | LQD | C23 H29 N3 O | Cn1cc(c2c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 21 families. | |||||
1 | 5H17 | ic50 = 0.89 uM | LQE | C23 H29 N O2 | CN1C[C@H](.... |
2 | 5U5T | ic50 = 3.9 uM | 7W7 | C14 H19 N3 O2 | [H]/N=C(/N.... |
3 | 5H19 | ic50 = 0.32 uM | LQF | C22 H20 N6 O | c1ccc(cc1).... |
4 | 5H24 | - | LQG | C12 H9 N5 O | c1cc(oc1)C.... |
5 | 5GSA | Kd = 82.5 nM | 73K | C17 H15 N5 O3 S | CS(=O)(=O).... |
6 | 5H14 | ic50 = 8.76 uM | LQB | C20 H20 N4 O2 | Cc1cc(n(n1.... |
7 | 5U62 | ic50 = 1.3 uM | 7WD | C15 H17 N3 O2 | c1cc(c2c(c.... |
8 | 5WUK | Kd = 14 nM | 73K | C17 H15 N5 O3 S | CS(=O)(=O).... |
9 | 5H15 | ic50 = 1.57 uM | LQD | C23 H29 N3 O | Cn1cc(c2c1.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | C4F | 0.9384 |
2 | LI4 | 0.9311 |
3 | JCQ | 0.9261 |
4 | OAG | 0.9246 |
5 | 8MF | 0.9244 |
6 | 0QX | 0.9171 |
7 | EMU | 0.9122 |
8 | WCU | 0.9105 |
9 | JE7 | 0.9072 |
10 | 50Q | 0.9046 |
11 | ON1 | 0.9044 |
12 | FLF | 0.9020 |
13 | P1Y | 0.9017 |
14 | 5R9 | 0.9003 |
15 | F91 | 0.9000 |
16 | DMB | 0.9000 |
17 | AX8 | 0.8995 |
18 | QC1 | 0.8986 |
19 | 7ZO | 0.8985 |
20 | 3TI | 0.8980 |
21 | UN4 | 0.8972 |
22 | A18 | 0.8946 |
23 | SCE | 0.8944 |
24 | GLC GLA | 0.8936 |
25 | BGC GLA | 0.8936 |
26 | NOJ BGC | 0.8929 |
27 | IM4 | 0.8921 |
28 | M62 | 0.8919 |
29 | KUP | 0.8918 |
30 | 94M | 0.8917 |
31 | PU2 | 0.8894 |
32 | CMG | 0.8891 |
33 | C5Q | 0.8889 |
34 | 5AV | 0.8885 |
35 | 9FN | 0.8884 |
36 | TCT | 0.8881 |
37 | KTM | 0.8873 |
38 | CJZ | 0.8869 |
39 | 1OX | 0.8855 |
40 | NAR | 0.8846 |
41 | 4YE | 0.8841 |
42 | 9ME | 0.8817 |
43 | IMV | 0.8816 |
44 | 5F4 | 0.8815 |
45 | CHJ | 0.8810 |
46 | CHV | 0.8810 |
47 | 9RK | 0.8809 |
48 | 7VV | 0.8806 |
49 | PZX | 0.8799 |
50 | DIH | 0.8798 |
51 | ZZ1 GAL | 0.8791 |
52 | 2L1 | 0.8789 |
53 | MXA | 0.8788 |
54 | 8WW | 0.8778 |
55 | EXG | 0.8777 |
56 | EX7 | 0.8775 |
57 | EXP | 0.8772 |
58 | 6NJ | 0.8771 |
59 | DE7 | 0.8762 |
60 | GLC BGC | 0.8758 |
61 | FL9 | 0.8751 |
62 | 51P | 0.8743 |
63 | JNW | 0.8740 |
64 | 3IP | 0.8740 |
65 | MF5 | 0.8736 |
66 | 5F7 | 0.8730 |
67 | MCV | 0.8730 |
68 | YX0 | 0.8723 |
69 | TOP | 0.8714 |
70 | 4VT | 0.8713 |
71 | 48I | 0.8711 |
72 | MGI | 0.8710 |
73 | PNA | 0.8710 |
74 | AUY | 0.8709 |
75 | TCW | 0.8709 |
76 | IWH | 0.8708 |
77 | MBY | 0.8706 |
78 | XDI | 0.8698 |
79 | H5E | 0.8698 |
80 | VXP | 0.8698 |
81 | VJJ | 0.8691 |
82 | B1T | 0.8683 |
83 | BZM | 0.8679 |
84 | DGO Z61 | 0.8678 |
85 | 6IP | 0.8677 |
86 | G8V | 0.8677 |
87 | PNG | 0.8675 |
88 | PNW | 0.8675 |
89 | H35 | 0.8675 |
90 | LVB | 0.8674 |
91 | PNJ | 0.8672 |
92 | GLC IBZ | 0.8663 |
93 | M77 | 0.8656 |
94 | IM5 | 0.8655 |
95 | 0OP | 0.8655 |
96 | H8B | 0.8654 |
97 | AGV | 0.8652 |
98 | TYP | 0.8652 |
99 | HN2 | 0.8643 |
100 | JMQ | 0.8637 |
101 | 4P8 | 0.8634 |
102 | 100 | 0.8633 |
103 | NKI | 0.8632 |
104 | 0OM | 0.8630 |
105 | GLA GAL | 0.8623 |
106 | KHP | 0.8621 |
107 | GZT | 0.8620 |
108 | IAG | 0.8611 |
109 | HHV | 0.8598 |
110 | 5TF | 0.8592 |
111 | R75 | 0.8591 |
112 | CBJ | 0.8589 |
113 | C3G | 0.8588 |
114 | 2SN | 0.8585 |
115 | 147 | 0.8579 |
116 | 5RU | 0.8576 |
117 | RNK | 0.8551 |
118 | 4TX | 0.8550 |
119 | 4EU | 0.8544 |
120 | BK1 | 0.8544 |
121 | GN5 | 0.8529 |
122 | 1ZC | 0.8514 |
This union binding pocket(no: 1) in the query (biounit: 5wuk.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |