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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 | 2DE3 | - | OBP | C12 H10 O3 S | c1ccc(c(c1.... |
2 | 2DE4 | - | BPS | C12 H10 O2 S | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 2DE3 | - | OBP | C12 H10 O3 S | c1ccc(c(c1.... |
2 | 2DE4 | - | BPS | C12 H10 O2 S | c1ccc(cc1).... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 61O | 0.9583 |
2 | 6W6 | 0.9503 |
3 | B2Y | 0.9469 |
4 | 60Q | 0.9465 |
5 | 49N | 0.9432 |
6 | LT8 | 0.9399 |
7 | 1FF | 0.9376 |
8 | BCK | 0.9352 |
9 | 5VL | 0.9336 |
10 | MOK | 0.9314 |
11 | F69 | 0.9245 |
12 | 49O | 0.9238 |
13 | 6XI | 0.9234 |
14 | A8Q | 0.9210 |
15 | U2Z | 0.9202 |
16 | 1WC | 0.9187 |
17 | BP3 | 0.9177 |
18 | 6HX | 0.9173 |
19 | ACE PHE | 0.9163 |
20 | MPK | 0.9154 |
21 | PJW | 0.9150 |
22 | 89J | 0.9144 |
23 | 9X5 | 0.9141 |
24 | DC5 | 0.9138 |
25 | S2T | 0.9132 |
26 | 46P | 0.9118 |
27 | A9O | 0.9116 |
28 | XQK | 0.9106 |
29 | 692 | 0.9092 |
30 | L13 | 0.9090 |
31 | WOE | 0.9087 |
32 | M4B | 0.9083 |
33 | 6J9 | 0.9078 |
34 | JRB | 0.9027 |
35 | CP7 | 0.9024 |
36 | F5F | 0.9022 |
37 | B2T | 0.9017 |
38 | BP6 | 0.9014 |
39 | T2D | 0.9006 |
40 | CH9 | 0.9000 |
41 | S7B | 0.8996 |
42 | A4B | 0.8991 |
43 | AM1 | 0.8989 |
44 | SV4 | 0.8986 |
45 | 8CB | 0.8980 |
46 | 1XA | 0.8961 |
47 | A9P | 0.8955 |
48 | A1Y | 0.8950 |
49 | DNB | 0.8949 |
50 | Z5P | 0.8944 |
51 | BPY | 0.8939 |
52 | 90J | 0.8939 |
53 | MIF | 0.8930 |
54 | B4O | 0.8917 |
55 | RME | 0.8911 |
56 | GLS | 0.8911 |
57 | A4Q | 0.8909 |
58 | HVJ | 0.8898 |
59 | GL5 | 0.8898 |
60 | A9K | 0.8891 |
61 | N2Z | 0.8885 |
62 | GTC | 0.8881 |
63 | NV1 | 0.8880 |
64 | 52C | 0.8878 |
65 | GL2 | 0.8871 |
66 | CP6 | 0.8868 |
67 | 1Z8 | 0.8868 |
68 | SBI | 0.8868 |
69 | A7K | 0.8866 |
70 | AUT | 0.8860 |
71 | GL7 | 0.8855 |
72 | 0QW | 0.8845 |
73 | QZ8 | 0.8844 |
74 | TT4 | 0.8838 |
75 | 9UL | 0.8830 |
76 | A4T | 0.8829 |
77 | 977 | 0.8821 |
78 | NCT | 0.8815 |
79 | FA6 | 0.8814 |
80 | A4N | 0.8811 |
81 | PIR | 0.8809 |
82 | GL4 | 0.8809 |
83 | A3Q | 0.8807 |
84 | DIF | 0.8791 |
85 | 1U7 | 0.8785 |
86 | C6J | 0.8778 |
87 | 3YQ | 0.8772 |
88 | NZ3 | 0.8765 |
89 | HNH | 0.8765 |
90 | N8Z | 0.8762 |
91 | AIN | 0.8758 |
92 | NZ2 | 0.8754 |
93 | 787 | 0.8739 |
94 | S3B | 0.8733 |
95 | 3B4 | 0.8727 |
96 | 22L | 0.8713 |
97 | DQA | 0.8708 |
98 | FA3 | 0.8707 |
99 | 0A9 | 0.8693 |
100 | 256 | 0.8676 |
101 | 8VE | 0.8671 |
102 | QM1 | 0.8655 |
103 | S0G | 0.8632 |
104 | I59 | 0.8632 |
105 | ID8 | 0.8628 |
106 | 2TU | 0.8619 |
107 | GZQ | 0.8612 |
108 | 54E | 0.8610 |
109 | CR6 | 0.8609 |
110 | 8GK | 0.8597 |
111 | 2KU | 0.8572 |
112 | AMQ | 0.8542 |
113 | GC2 | 0.8525 |
114 | J27 | 0.8520 |
115 | CGF | 0.8519 |
116 | AKD | 0.8513 |
This union binding pocket(no: 1) in the query (biounit: 2de4.bio2) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2de4.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |