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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 271 families. | |||||
1 | 4X8E | - | AVJ | C9 H16 N3 O2 | C[N+](C)(C.... |
2 | 4X8D | - | 3GC | C8 H14 N2 O5 S | C(CC(=O)N[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 223 families. | |||||
1 | 4X8E | - | AVJ | C9 H16 N3 O2 | C[N+](C)(C.... |
2 | 4X8D | - | 3GC | C8 H14 N2 O5 S | C(CC(=O)N[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | AVJ | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | AVI | 0.9776 |
2 | BZS | 0.9308 |
3 | 7UZ | 0.9236 |
4 | ZOL | 0.9212 |
5 | CIT | 0.9180 |
6 | AVO | 0.9168 |
7 | 2B4 | 0.9136 |
8 | T2D | 0.9124 |
9 | TRC | 0.9100 |
10 | 23N | 0.9086 |
11 | B2Y | 0.9082 |
12 | FLC | 0.9036 |
13 | ACE PHE | 0.9033 |
14 | F69 | 0.9022 |
15 | CH9 | 0.9014 |
16 | JRB | 0.9013 |
17 | 61O | 0.9012 |
18 | DHI | 0.8998 |
19 | HIS | 0.8976 |
20 | AOT | 0.8967 |
21 | NLG | 0.8964 |
22 | 5ZZ | 0.8958 |
23 | ING | 0.8952 |
24 | GTC | 0.8939 |
25 | RIS | 0.8931 |
26 | BTM | 0.8928 |
27 | N2Z | 0.8917 |
28 | 52C | 0.8903 |
29 | ICT | 0.8880 |
30 | 0A9 | 0.8877 |
31 | MPK | 0.8877 |
32 | 4WK | 0.8867 |
33 | 60Q | 0.8867 |
34 | 2F6 | 0.8860 |
35 | HFA | 0.8859 |
36 | PHE | 0.8858 |
37 | J9Q | 0.8846 |
38 | DYT | 0.8844 |
39 | DPN | 0.8840 |
40 | DG2 | 0.8839 |
41 | 49O | 0.8830 |
42 | LT8 | 0.8828 |
43 | 7QD | 0.8819 |
44 | Z5P | 0.8819 |
45 | NCT | 0.8807 |
46 | JF6 | 0.8806 |
47 | DY8 | 0.8802 |
48 | NCD | 0.8791 |
49 | 46P | 0.8788 |
50 | BPS | 0.8788 |
51 | HNH | 0.8787 |
52 | PPY | 0.8786 |
53 | 1WC | 0.8786 |
54 | NI9 | 0.8786 |
55 | NFA | 0.8784 |
56 | 7Q1 | 0.8782 |
57 | 0FA | 0.8778 |
58 | C6J | 0.8769 |
59 | TIH | 0.8768 |
60 | G88 | 0.8768 |
61 | 97T | 0.8763 |
62 | 0F9 | 0.8759 |
63 | 9PL | 0.8753 |
64 | FF3 | 0.8746 |
65 | ONR | 0.8746 |
66 | IPM | 0.8738 |
67 | 3PO | 0.8737 |
68 | HF2 | 0.8733 |
69 | E0O | 0.8732 |
70 | BPY | 0.8725 |
71 | 6XI | 0.8725 |
72 | SHI | 0.8720 |
73 | TT4 | 0.8718 |
74 | SV4 | 0.8716 |
75 | 7QS | 0.8715 |
76 | DNB | 0.8712 |
77 | Q06 | 0.8706 |
78 | 49N | 0.8706 |
79 | GVG | 0.8703 |
80 | IAC | 0.8682 |
81 | NLQ | 0.8679 |
82 | AOS | 0.8677 |
83 | R20 | 0.8669 |
84 | 2AL | 0.8659 |
85 | GBN | 0.8656 |
86 | L5V | 0.8650 |
87 | HCA | 0.8650 |
88 | BCK | 0.8646 |
89 | AKG | 0.8646 |
90 | HNK | 0.8644 |
91 | 1AL | 0.8639 |
92 | HIC | 0.8631 |
93 | MCO | 0.8631 |
94 | R1P | 0.8628 |
95 | GLN | 0.8625 |
96 | XDK | 0.8623 |
97 | HQJ | 0.8621 |
98 | GLU | 0.8618 |
99 | RP5 | 0.8612 |
100 | K80 | 0.8611 |
101 | CPZ | 0.8608 |
102 | DHS | 0.8606 |
103 | DMO | 0.8604 |
104 | 6J9 | 0.8595 |
105 | PIR | 0.8592 |
106 | DC5 | 0.8591 |
107 | N3W | 0.8583 |
108 | 1KM | 0.8573 |
109 | 89J | 0.8569 |
110 | AX3 | 0.8568 |
111 | TYR | 0.8563 |
112 | 6HX | 0.8554 |
113 | HSO | 0.8546 |
114 | 1CY | 0.8537 |
115 | QIC | 0.8532 |
116 | CH8 | 0.8502 |
This union binding pocket(no: 1) in the query (biounit: 4x8d.bio1) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4x8d.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6QKJ | AVJ | 43.4783 |
2 | 6QKJ | AVJ | 43.4783 |
This union binding pocket(no: 3) in the query (biounit: 4x8d.bio2) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6QKJ | AVJ | 43.4783 |
2 | 6QKJ | AVJ | 43.4783 |
This union binding pocket(no: 4) in the query (biounit: 4x8d.bio2) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |