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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 3 families. | |||||
1 | 4LXI | - | 22J | C12 H8 F2 O4 | c1ccc(c(c1.... |
2 | 4LYE | - | HPK | C12 H9 O4 | c1ccc(cc1).... |
3 | 4LXH | - | C1E | C12 H9 Cl O4 | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4LXI | - | 22J | C12 H8 F2 O4 | c1ccc(c(c1.... |
2 | 4LYE | - | HPK | C12 H9 O4 | c1ccc(cc1).... |
3 | 4LXH | - | C1E | C12 H9 Cl O4 | c1ccc(cc1).... |
4 | 2WUE | - | KEK | C15 H14 Cl O4 | C[C@H](C=C.... |
5 | 5JZS | ic50 = 0.54 mM | FGZ | C7 H4 Cl2 O3 | c1c(cc(c(c.... |
6 | 2WUF | Kd = 51 uM | KEM | C19 H25 O6 | C[C@H](C=C.... |
7 | 2WUG | - | HPK | C12 H9 O4 | c1ccc(cc1).... |
8 | 5JZB | ic50 = 0.41 mM | 6OT | C6 H5 Cl2 N O2 S | c1c(cc(cc1.... |
9 | 3V1M | - | HPK | C12 H9 O4 | c1ccc(cc1).... |
10 | 3V1K | - | MLA | C3 H4 O4 | C(C(=O)O)C.... |
11 | 2PUH | - | HPK | C12 H9 O4 | c1ccc(cc1).... |
12 | 2PUJ | - | HPZ | C12 H10 O4 | c1ccc(cc1).... |
13 | 2RHW | - | C0E | C12 H8 F2 O4 | c1cc(ccc1C.... |
14 | 2RHT | - | C1E | C12 H9 Cl O4 | c1ccc(cc1).... |
15 | 3V1N | - | HPK | C12 H9 O4 | c1ccc(cc1).... |
16 | 1UK8 | - | LEA | C5 H10 O2 | CCCCC(=O)O |
17 | 1UK6 | - | PPI | C3 H6 O2 | CCC(=O)O |
18 | 1UKA | - | SMB | C5 H10 O2 | CC[C@H](C).... |
19 | 1UK9 | - | IVA | C5 H10 O2 | CC(C)CC(=O.... |
20 | 1IUP | Ki = 2.9 mM | ALQ | C4 H8 O2 | CC(C)C(=O).... |
21 | 1UK7 | - | BUA | C4 H8 O2 | CCCC(=O)O |
22 | 1UKB | Ki = 0.65 mM | BEZ | C7 H6 O2 | c1ccc(cc1).... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | C0E | 0.9516 |
2 | HPK | 0.9353 |
3 | PHQ DAL | 0.9110 |
4 | KPV | 0.9033 |
5 | N5B | 0.9031 |
6 | FTK | 0.9008 |
7 | LJ5 | 0.8995 |
8 | 0QA | 0.8993 |
9 | FY8 | 0.8992 |
10 | LVB | 0.8991 |
11 | BSU | 0.8990 |
12 | Q2S | 0.8978 |
13 | SQM | 0.8964 |
14 | 8CV | 0.8961 |
15 | FHV | 0.8950 |
16 | 0OP | 0.8943 |
17 | V15 | 0.8926 |
18 | GHQ | 0.8926 |
19 | F91 | 0.8915 |
20 | L2K | 0.8911 |
21 | PHQ ALA | 0.8898 |
22 | TCW | 0.8894 |
23 | AX5 | 0.8894 |
24 | 39R | 0.8891 |
25 | BZM | 0.8890 |
26 | 2J5 | 0.8889 |
27 | P4T | 0.8883 |
28 | 68B | 0.8874 |
29 | RE4 | 0.8871 |
30 | 0QR | 0.8870 |
31 | SZA | 0.8866 |
32 | G30 | 0.8864 |
33 | 536 | 0.8853 |
34 | C0Y | 0.8844 |
35 | 6H2 | 0.8839 |
36 | STL | 0.8837 |
37 | RE2 | 0.8837 |
38 | 3IP | 0.8834 |
39 | 0OM | 0.8833 |
40 | CMZ | 0.8832 |
41 | 9JT | 0.8827 |
42 | BSA | 0.8824 |
43 | 5ER | 0.8824 |
44 | EMU | 0.8812 |
45 | OJD | 0.8812 |
46 | E6Q | 0.8810 |
47 | 0X2 | 0.8804 |
48 | PIT | 0.8795 |
49 | D26 | 0.8793 |
50 | C4E | 0.8788 |
51 | 5VU | 0.8783 |
52 | D25 | 0.8782 |
53 | 00G | 0.8782 |
54 | IPL | 0.8779 |
55 | IJ6 | 0.8777 |
56 | D4G | 0.8777 |
57 | TPM | 0.8772 |
58 | JM6 | 0.8766 |
59 | 7EH | 0.8760 |
60 | 83D | 0.8755 |
61 | IEE | 0.8753 |
62 | C0V | 0.8752 |
63 | 7XX | 0.8746 |
64 | 0QV | 0.8743 |
65 | 4KJ | 0.8742 |
66 | 531 | 0.8738 |
67 | PTB | 0.8736 |
68 | JF5 | 0.8736 |
69 | D53 | 0.8735 |
70 | WA1 | 0.8734 |
71 | 6KJ | 0.8730 |
72 | 0RY | 0.8729 |
73 | 1Q2 | 0.8721 |
74 | 0LA | 0.8720 |
75 | NQ7 | 0.8718 |
76 | 7FZ | 0.8716 |
77 | AEY | 0.8715 |
78 | EXG | 0.8710 |
79 | 0XR | 0.8709 |
80 | JM8 | 0.8708 |
81 | VJJ | 0.8705 |
82 | B5A | 0.8705 |
83 | M5P | 0.8703 |
84 | 11X | 0.8703 |
85 | 0DJ | 0.8701 |
86 | 5WK | 0.8699 |
87 | 4CN | 0.8699 |
88 | WCU | 0.8698 |
89 | BXS | 0.8698 |
90 | LI4 | 0.8696 |
91 | CBE | 0.8695 |
92 | 5C1 | 0.8694 |
93 | PHQ THR | 0.8692 |
94 | LZ5 | 0.8690 |
95 | S7V | 0.8683 |
96 | SJR | 0.8683 |
97 | DE7 | 0.8683 |
98 | JM7 | 0.8683 |
99 | 4ZF | 0.8683 |
100 | 848 | 0.8673 |
101 | PHQ DTH | 0.8664 |
102 | JVB | 0.8656 |
103 | RNK | 0.8644 |
104 | 1KJ | 0.8639 |
105 | 6IP | 0.8636 |
106 | B7U | 0.8635 |
107 | SFY | 0.8635 |
108 | 3CX | 0.8632 |
109 | 2L2 | 0.8629 |
110 | QC1 | 0.8628 |
111 | NAL | 0.8617 |
112 | 72D | 0.8616 |
113 | IW4 | 0.8614 |
114 | BC3 | 0.8614 |
115 | 1HR | 0.8607 |
116 | 47V | 0.8606 |
117 | 4Z0 | 0.8600 |
118 | S0B | 0.8600 |
119 | 9F5 | 0.8598 |
120 | JOT | 0.8595 |
121 | MHB | 0.8591 |
122 | LJ2 | 0.8590 |
123 | LR2 | 0.8589 |
124 | A0R | 0.8587 |
125 | VGV | 0.8582 |
126 | M77 | 0.8579 |
127 | JON | 0.8564 |
128 | G2V | 0.8562 |
129 | MH5 | 0.8558 |
130 | NK5 | 0.8545 |
131 | OA5 | 0.8542 |
132 | WG8 | 0.8538 |
133 | 6P3 | 0.8537 |
134 | DZ1 | 0.8513 |
135 | AHR AHR | 0.8510 |
This union binding pocket(no: 1) in the query (biounit: 4lxh.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4lxh.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |