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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 4 families. | |||||
1 | 4PEE | - | 2OX | C13 H16 N4 O2 | C[C@H]1[C@.... |
2 | 2XII | Kd = 63.3 nM | TA9 | C21 H22 N2 O5 | C[C@H]1[C@.... |
3 | 2WVS | - | FUF | C6 H11 F O4 | C[C@H]1[C@.... |
4 | 2WVU | - | JFZ | C12 H15 N O7 | C[C@H]1[C@.... |
5 | 4J28 | Ki = 2 uM | EAT | C12 H15 N3 O2 | C[C@H]1[C@.... |
6 | 6HZY | Ki = 121 uM | GYZ | C13 H16 N2 O6 | C[C@H]1[C@.... |
7 | 4JFT | Ki = 3.5 uM | 1KN | C12 H17 N O3 | C[C@H]1[C@.... |
8 | 4PCS | - | 2M7 | C13 H15 N O2 | C[C@H]1[C@.... |
9 | 4JFU | - | K80 | C12 H17 N O2 | Cc1ccc(cc1.... |
10 | 4JFV | Ki = 0.52 uM | H57 | C18 H26 Fe N2 O2 | CC1C(C(C(N.... |
11 | 2XIB | Kd = 55.1 nM | DFU | C6 H13 N O3 | C[C@H]1[C@.... |
12 | 4PCT | - | H76 | C7 H11 N O2 | C[C@H]1[C@.... |
13 | 4JFS | Ki = 5.4 uM | 16Z | C13 H19 N O3 | C[C@H]1[C@.... |
14 | 4JFW | Ki = 0.46 uM | H58 | C20 H30 Fe N2 O2 | CC1C(C(C(N.... |
15 | 2WVT | Kd = 755 nM | FHN | C7 H16 N O5 | C([C@H]1[C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 4PEE | - | 2OX | C13 H16 N4 O2 | C[C@H]1[C@.... |
2 | 2XII | Kd = 63.3 nM | TA9 | C21 H22 N2 O5 | C[C@H]1[C@.... |
3 | 2WVS | - | FUF | C6 H11 F O4 | C[C@H]1[C@.... |
4 | 2WVU | - | JFZ | C12 H15 N O7 | C[C@H]1[C@.... |
5 | 4J28 | Ki = 2 uM | EAT | C12 H15 N3 O2 | C[C@H]1[C@.... |
6 | 6HZY | Ki = 121 uM | GYZ | C13 H16 N2 O6 | C[C@H]1[C@.... |
7 | 4JFT | Ki = 3.5 uM | 1KN | C12 H17 N O3 | C[C@H]1[C@.... |
8 | 4PCS | - | 2M7 | C13 H15 N O2 | C[C@H]1[C@.... |
9 | 4JFU | - | K80 | C12 H17 N O2 | Cc1ccc(cc1.... |
10 | 4JFV | Ki = 0.52 uM | H57 | C18 H26 Fe N2 O2 | CC1C(C(C(N.... |
11 | 2XIB | Kd = 55.1 nM | DFU | C6 H13 N O3 | C[C@H]1[C@.... |
12 | 4PCT | - | H76 | C7 H11 N O2 | C[C@H]1[C@.... |
13 | 4JFS | Ki = 5.4 uM | 16Z | C13 H19 N O3 | C[C@H]1[C@.... |
14 | 4JFW | Ki = 0.46 uM | H58 | C20 H30 Fe N2 O2 | CC1C(C(C(N.... |
15 | 2WVT | Kd = 755 nM | FHN | C7 H16 N O5 | C([C@H]1[C.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | JVB | 0.9165 |
2 | ZX7 | 0.9148 |
3 | OA5 | 0.9119 |
4 | 9M9 | 0.9102 |
5 | KOT | 0.9100 |
6 | 6MY | 0.9091 |
7 | B1W | 0.9088 |
8 | KS2 | 0.9088 |
9 | B1N | 0.9072 |
10 | 73E | 0.9015 |
11 | F5N | 0.8997 |
12 | PNG | 0.8974 |
13 | F7L | 0.8958 |
14 | T5J | 0.8949 |
15 | S06 | 0.8944 |
16 | 246 | 0.8931 |
17 | 20P | 0.8914 |
18 | CA2 | 0.8905 |
19 | FVQ | 0.8900 |
20 | CWP | 0.8898 |
21 | BZD | 0.8896 |
22 | 28C | 0.8892 |
23 | 2OX | 0.8890 |
24 | 9PC | 0.8885 |
25 | D9Q | 0.8881 |
26 | 3X8 | 0.8871 |
27 | NNF | 0.8866 |
28 | MF5 | 0.8858 |
29 | KUQ | 0.8858 |
30 | YC8 | 0.8854 |
31 | 4VC | 0.8846 |
32 | MMA DH6 | 0.8846 |
33 | 4KN | 0.8844 |
34 | KSY | 0.8838 |
35 | 9RK | 0.8831 |
36 | 9EG | 0.8820 |
37 | C17 | 0.8803 |
38 | 4P9 | 0.8799 |
39 | 0MB | 0.8791 |
40 | YX0 | 0.8787 |
41 | 5RU | 0.8784 |
42 | G27 | 0.8780 |
43 | L02 | 0.8778 |
44 | BXB | 0.8775 |
45 | ZUF | 0.8775 |
46 | HCC | 0.8769 |
47 | M09 | 0.8769 |
48 | CMZ | 0.8767 |
49 | 1UA | 0.8766 |
50 | 9X0 | 0.8760 |
51 | M07 | 0.8760 |
52 | RM8 | 0.8755 |
53 | F08 | 0.8753 |
54 | J2W | 0.8752 |
55 | M62 | 0.8751 |
56 | F33 | 0.8748 |
57 | JP5 | 0.8742 |
58 | JPW | 0.8742 |
59 | F41 | 0.8739 |
60 | 5V3 | 0.8730 |
61 | E98 | 0.8730 |
62 | E92 | 0.8730 |
63 | L43 | 0.8712 |
64 | JV5 | 0.8711 |
65 | 147 | 0.8702 |
66 | BCE | 0.8697 |
67 | 0RU | 0.8695 |
68 | 9B2 | 0.8694 |
69 | 6NF | 0.8694 |
70 | 1UT | 0.8694 |
71 | HN3 | 0.8694 |
72 | EBB | 0.8690 |
73 | M0V | 0.8687 |
74 | MRE | 0.8676 |
75 | GAL NPO | 0.8674 |
76 | PNJ | 0.8672 |
77 | H8B | 0.8672 |
78 | 5ET | 0.8665 |
79 | 2ZI | 0.8664 |
80 | FO2 | 0.8659 |
81 | W2E | 0.8658 |
82 | 0LY | 0.8652 |
83 | QDR | 0.8651 |
84 | M7C | 0.8651 |
85 | IY5 | 0.8649 |
86 | EX7 | 0.8648 |
87 | AVQ | 0.8646 |
88 | HH7 | 0.8644 |
89 | 10H | 0.8637 |
90 | 87F | 0.8635 |
91 | SNP | 0.8629 |
92 | JP8 | 0.8624 |
93 | 87C | 0.8620 |
94 | BO1 | 0.8618 |
95 | 5HG | 0.8614 |
96 | NQK | 0.8614 |
97 | F91 | 0.8609 |
98 | HA1 | 0.8606 |
99 | 5YA | 0.8604 |
100 | C0E | 0.8602 |
101 | YH4 | 0.8589 |
102 | 4UZ | 0.8585 |
103 | KWK | 0.8577 |
104 | SKY | 0.8572 |
105 | PNW | 0.8571 |
106 | ECZ | 0.8565 |
107 | 1Q1 | 0.8564 |
108 | 0QX | 0.8557 |
109 | FZ8 | 0.8547 |
110 | JP3 | 0.8547 |
111 | 3PQ | 0.8522 |
This union binding pocket(no: 1) in the query (biounit: 2xib.bio2) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2xib.bio4) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2xib.bio3) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2xib.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |