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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 3 families. | |||||
1 | 3V1M | - | HPK | C12 H9 O4 | c1ccc(cc1).... |
2 | 3V1K | - | MLA | C3 H4 O4 | C(C(=O)O)C.... |
3 | 2PUH | - | HPK | C12 H9 O4 | c1ccc(cc1).... |
4 | 2PUJ | - | HPZ | C12 H10 O4 | c1ccc(cc1).... |
5 | 2RHW | - | C0E | C12 H8 F2 O4 | c1cc(ccc1C.... |
6 | 2RHT | - | C1E | C12 H9 Cl O4 | c1ccc(cc1).... |
7 | 3V1N | - | HPK | C12 H9 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 | HPK | 0.9994 |
2 | 0QA | 0.9407 |
3 | C0E | 0.9297 |
4 | BZM | 0.9235 |
5 | BSU | 0.9200 |
6 | SZA | 0.9166 |
7 | KPV | 0.9122 |
8 | PIT | 0.9095 |
9 | 11X | 0.9089 |
10 | BSA | 0.9087 |
11 | FTK | 0.9078 |
12 | D26 | 0.9077 |
13 | GHQ | 0.9077 |
14 | IJ6 | 0.9040 |
15 | 00G | 0.9035 |
16 | D25 | 0.9021 |
17 | WA1 | 0.9003 |
18 | D53 | 0.8990 |
19 | C0V | 0.8989 |
20 | PHQ ALA | 0.8982 |
21 | TPM | 0.8968 |
22 | 245 | 0.8966 |
23 | N5B | 0.8962 |
24 | AX5 | 0.8961 |
25 | FHV | 0.8947 |
26 | 83D | 0.8946 |
27 | LJ5 | 0.8934 |
28 | RE4 | 0.8933 |
29 | 39R | 0.8930 |
30 | 1Q2 | 0.8918 |
31 | STL | 0.8914 |
32 | C4E | 0.8909 |
33 | 9JT | 0.8900 |
34 | DIH | 0.8897 |
35 | RE2 | 0.8896 |
36 | BXS | 0.8893 |
37 | 0ON | 0.8890 |
38 | 1PB | 0.8889 |
39 | PHQ DAL | 0.8888 |
40 | 68B | 0.8882 |
41 | RB7 | 0.8878 |
42 | MFY | 0.8877 |
43 | 6C8 | 0.8874 |
44 | 7EH | 0.8871 |
45 | IPJ | 0.8868 |
46 | IEE | 0.8866 |
47 | F91 | 0.8856 |
48 | IPL | 0.8853 |
49 | 8CV | 0.8853 |
50 | 6H2 | 0.8843 |
51 | 0MB | 0.8840 |
52 | OJD | 0.8838 |
53 | 0V7 | 0.8836 |
54 | 8YH | 0.8825 |
55 | ZEZ | 0.8823 |
56 | IJ1 | 0.8822 |
57 | P4T | 0.8820 |
58 | JKK | 0.8819 |
59 | 0V8 | 0.8813 |
60 | BVB | 0.8812 |
61 | 3CX | 0.8807 |
62 | G2V | 0.8806 |
63 | ZUF | 0.8806 |
64 | RDV | 0.8805 |
65 | 5ER | 0.8804 |
66 | TBJ | 0.8802 |
67 | 5TO | 0.8799 |
68 | WA2 | 0.8799 |
69 | DTB | 0.8794 |
70 | CBE | 0.8786 |
71 | 2OX | 0.8784 |
72 | S0B | 0.8784 |
73 | 4Z0 | 0.8780 |
74 | L2K | 0.8780 |
75 | 1CM | 0.8772 |
76 | OLU | 0.8772 |
77 | 1R5 | 0.8770 |
78 | SJR | 0.8768 |
79 | REG | 0.8767 |
80 | LJ2 | 0.8767 |
81 | CT0 | 0.8766 |
82 | IJ4 | 0.8764 |
83 | IW4 | 0.8761 |
84 | 72D | 0.8761 |
85 | CIU | 0.8757 |
86 | D9Q | 0.8756 |
87 | NFZ | 0.8751 |
88 | S0A | 0.8745 |
89 | L02 | 0.8741 |
90 | JCQ | 0.8739 |
91 | MKN | 0.8738 |
92 | EYY | 0.8735 |
93 | 4CN | 0.8734 |
94 | 3KJ | 0.8733 |
95 | 135 | 0.8727 |
96 | HRG | 0.8727 |
97 | 833 | 0.8725 |
98 | EYJ | 0.8724 |
99 | Q2S | 0.8723 |
100 | 47V | 0.8718 |
101 | 0XR | 0.8716 |
102 | 0UL | 0.8711 |
103 | JP5 | 0.8709 |
104 | B5A | 0.8703 |
105 | TEF | 0.8698 |
106 | LI4 | 0.8696 |
107 | 7HV | 0.8687 |
108 | 5PV | 0.8686 |
109 | AOY | 0.8683 |
110 | ZTW | 0.8678 |
111 | NZ4 | 0.8672 |
112 | D8Y | 0.8670 |
113 | LJ1 | 0.8664 |
114 | V15 | 0.8663 |
115 | 246 | 0.8656 |
116 | 52F | 0.8656 |
117 | RF2 | 0.8653 |
118 | HAR | 0.8651 |
119 | 9EG | 0.8650 |
120 | 2MR | 0.8649 |
121 | DE7 | 0.8648 |
122 | 397 | 0.8641 |
123 | 0OP | 0.8636 |
124 | 68C | 0.8634 |
125 | 8CC | 0.8633 |
126 | 6P3 | 0.8620 |
127 | LPA | 0.8620 |
128 | JVD | 0.8616 |
129 | E6Q | 0.8610 |
130 | 3IB | 0.8609 |
131 | 122 | 0.8607 |
132 | 0RY | 0.8606 |
133 | LR2 | 0.8601 |
134 | WT2 | 0.8589 |
135 | 4JK | 0.8589 |
136 | 1Q1 | 0.8584 |
137 | 3G3 | 0.8573 |
138 | CWP | 0.8572 |
139 | M5P | 0.8572 |
140 | 7FZ | 0.8571 |
141 | 4VC | 0.8569 |
142 | AX6 | 0.8566 |
143 | 5EZ | 0.8562 |
144 | DZ1 | 0.8560 |
145 | FY8 | 0.8558 |
146 | NRG | 0.8557 |
147 | 1EB | 0.8557 |
148 | KLS | 0.8554 |
149 | BX4 | 0.8554 |
150 | WDW | 0.8542 |
151 | J2N | 0.8535 |
This union binding pocket(no: 1) in the query (biounit: 2rhw.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2rhw.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2rhw.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2rhw.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |