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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 1 families. | |||||
1 | 5XH2 | - | NPO | C6 H5 N O3 | c1cc(ccc1[.... |
2 | 5XH3 | - | 856 | C11 H12 O5 | COC(=O)c1c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 6AID | - | 9YL | C5 H10 O3 | CCOC(=O)[C.... |
2 | 6THT | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
3 | 5XH2 | - | NPO | C6 H5 N O3 | c1cc(ccc1[.... |
4 | 5XH3 | - | 856 | C11 H12 O5 | COC(=O)c1c.... |
5 | 5ZRR | - | 9J3 | C6 H10 O4 | CCOC(=O)CC.... |
6 | 5ZRS | - | 9J6 | C8 H14 O4 | CCOC(=O)CC.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 856 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | J1K | 0.9498 |
2 | RPN | 0.9385 |
3 | RYY | 0.9306 |
4 | JMM | 0.9301 |
5 | RYV | 0.9297 |
6 | K3D | 0.9229 |
7 | AD6 | 0.9212 |
8 | 9NB | 0.9208 |
9 | 4UM | 0.9203 |
10 | 5O6 | 0.9148 |
11 | HMZ | 0.9142 |
12 | GJG | 0.9140 |
13 | DVK | 0.9139 |
14 | LEG | 0.9132 |
15 | F02 | 0.9124 |
16 | B15 | 0.9119 |
17 | WDW | 0.9108 |
18 | 3O5 | 0.9108 |
19 | A8D | 0.9101 |
20 | TVZ | 0.9086 |
21 | K3T | 0.9078 |
22 | 4HG | 0.9068 |
23 | R7T | 0.9067 |
24 | U4J | 0.9063 |
25 | RYJ | 0.9061 |
26 | 4CN | 0.9058 |
27 | CT0 | 0.9054 |
28 | VC3 | 0.9053 |
29 | RZ0 | 0.9038 |
30 | 14N | 0.9037 |
31 | KU1 | 0.9028 |
32 | 27K | 0.9026 |
33 | A9B | 0.9026 |
34 | OLU | 0.9023 |
35 | 1OT | 0.9021 |
36 | 5TT | 0.9017 |
37 | ESJ | 0.9012 |
38 | EZ1 | 0.9010 |
39 | 2JP | 0.9008 |
40 | A05 | 0.9005 |
41 | 5H6 | 0.8991 |
42 | 6P3 | 0.8988 |
43 | 7KE | 0.8984 |
44 | NPS | 0.8979 |
45 | NPX | 0.8975 |
46 | SJK | 0.8974 |
47 | 8V8 | 0.8947 |
48 | M25 | 0.8943 |
49 | BFL | 0.8940 |
50 | 5NR | 0.8938 |
51 | M28 | 0.8930 |
52 | UN9 | 0.8930 |
53 | 3W3 | 0.8923 |
54 | L4K | 0.8921 |
55 | 9JH | 0.8904 |
56 | 20N | 0.8900 |
57 | S7S | 0.8897 |
58 | 0LA | 0.8894 |
59 | PQS | 0.8894 |
60 | 8EU | 0.8893 |
61 | JVD | 0.8885 |
62 | 3W6 | 0.8884 |
63 | TEF | 0.8875 |
64 | 109 | 0.8875 |
65 | 4AU | 0.8868 |
66 | VD9 | 0.8861 |
67 | 5RD | 0.8856 |
68 | 7N8 | 0.8856 |
69 | I3E | 0.8855 |
70 | PPN | 0.8853 |
71 | 5SJ | 0.8852 |
72 | PB2 | 0.8851 |
73 | RKY | 0.8850 |
74 | BXS | 0.8841 |
75 | 6DH | 0.8839 |
76 | 9VQ | 0.8836 |
77 | N4E | 0.8828 |
78 | A6Z | 0.8825 |
79 | 5M2 | 0.8822 |
80 | 6SD | 0.8822 |
81 | JL7 | 0.8820 |
82 | HHB | 0.8810 |
83 | BX4 | 0.8809 |
84 | 4I8 | 0.8808 |
85 | KOH | 0.8806 |
86 | T1N | 0.8806 |
87 | QTK | 0.8803 |
88 | K4T | 0.8799 |
89 | BP5 | 0.8798 |
90 | K7H | 0.8787 |
91 | N9M | 0.8786 |
92 | S0A | 0.8783 |
93 | EP1 | 0.8781 |
94 | A98 | 0.8778 |
95 | Q2S | 0.8778 |
96 | VFJ | 0.8777 |
97 | TVC | 0.8776 |
98 | 3UF | 0.8776 |
99 | 68C | 0.8768 |
100 | MPU | 0.8767 |
101 | 4BX | 0.8767 |
102 | NEU | 0.8766 |
103 | BVS | 0.8764 |
104 | Q92 | 0.8763 |
105 | 250 | 0.8757 |
106 | KWV | 0.8756 |
107 | 8YH | 0.8756 |
108 | 4MP | 0.8751 |
109 | CX5 | 0.8742 |
110 | EE8 | 0.8741 |
111 | 36M | 0.8727 |
112 | YZ9 | 0.8718 |
113 | 2L1 | 0.8713 |
114 | OJM | 0.8712 |
115 | 0XR | 0.8709 |
116 | HPK | 0.8708 |
117 | HDI | 0.8704 |
118 | QTD | 0.8699 |
119 | M29 | 0.8698 |
120 | A4Z | 0.8695 |
121 | JW8 | 0.8688 |
122 | EEK | 0.8688 |
123 | 00G | 0.8686 |
124 | C0V | 0.8678 |
125 | 1AJ | 0.8677 |
126 | SYD | 0.8674 |
127 | S1C | 0.8664 |
128 | 7ZO | 0.8656 |
129 | 1Q1 | 0.8655 |
130 | DUL | 0.8645 |
131 | 3DE | 0.8640 |
132 | 1BW | 0.8636 |
133 | MQR | 0.8633 |
134 | 7AP | 0.8624 |
135 | NFZ | 0.8619 |
136 | 7PS | 0.8591 |
137 | F91 | 0.8579 |
138 | FQY | 0.8561 |
139 | 3N0 | 0.8549 |
140 | SQG | 0.8543 |
141 | 35K | 0.8536 |
This union binding pocket(no: 1) in the query (biounit: 5xh2.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3QM1 | ZYC | 17.1756 |
2 | 3QM1 | ZYC | 17.1756 |