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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 4 families. | |||||
1 | 2VNP | Ki = 0.12 nM | DED | C4 H13 N O7 P2 | CN(C)CCO[P.... |
2 | 1NFS | Kd < 0.12 nM | DED | C4 H13 N O7 P2 | CN(C)CCO[P.... |
3 | 1Q54 | Ki = 1.4 uM | BHI | C5 H13 Br O8 P2 | C[C@@](CCO.... |
4 | 1PPW | ic50 ~ 50 uM | EIP | C5 H14 O8 P2 | C[C@@H](CC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 2VNP | Ki = 0.12 nM | DED | C4 H13 N O7 P2 | CN(C)CCO[P.... |
2 | 1NFS | Kd < 0.12 nM | DED | C4 H13 N O7 P2 | CN(C)CCO[P.... |
3 | 1Q54 | Ki = 1.4 uM | BHI | C5 H13 Br O8 P2 | C[C@@](CCO.... |
4 | 1PPW | ic50 ~ 50 uM | EIP | C5 H14 O8 P2 | C[C@@H](CC.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DED | 1 | 1 |
2 | P23 | 0.558824 | 0.688889 |
3 | IPR | 0.5 | 0.772727 |
4 | IPE | 0.487179 | 0.653061 |
5 | P25 | 0.487179 | 0.666667 |
6 | P22 | 0.470588 | 0.6 |
7 | 43W | 0.461538 | 0.630435 |
8 | 0CH | 0.461538 | 0.625 |
9 | EIP | 0.452381 | 0.717391 |
10 | 0CJ | 0.452381 | 0.666667 |
11 | 0JX | 0.45 | 0.644444 |
12 | 0K2 | 0.439024 | 0.630435 |
13 | BHI | 0.431818 | 0.66 |
14 | MGM | 0.431034 | 0.862745 |
15 | 0O3 | 0.428571 | 0.6 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | DMA | 0.9793 |
2 | IS3 | 0.9531 |
3 | 0CN | 0.9424 |
4 | 2JA | 0.9321 |
5 | 0CG | 0.9238 |
6 | ISY | 0.9214 |
7 | PMV | 0.9193 |
8 | 10G | 0.9109 |
9 | RGP | 0.9107 |
10 | DST | 0.9079 |
11 | 10E | 0.9073 |
12 | STX | 0.9070 |
13 | 43Q | 0.9023 |
14 | DG2 | 0.9011 |
15 | H6P | 0.9010 |
16 | GAE | 0.9007 |
17 | AGP | 0.8987 |
18 | DXP | 0.8958 |
19 | DI9 | 0.8950 |
20 | 6FR | 0.8932 |
21 | ZZU | 0.8920 |
22 | 58X | 0.8918 |
23 | 4TP | 0.8916 |
24 | AZM | 0.8903 |
25 | ATX | 0.8897 |
26 | G88 | 0.8886 |
27 | 3CX | 0.8885 |
28 | DLT | 0.8876 |
29 | RES | 0.8848 |
30 | 2OR | 0.8848 |
31 | 0ON | 0.8845 |
32 | 68B | 0.8831 |
33 | 5SP | 0.8820 |
34 | 5DL | 0.8819 |
35 | PAU | 0.8811 |
36 | 3PO | 0.8806 |
37 | 5LD | 0.8803 |
38 | ARG | 0.8800 |
39 | PA5 | 0.8796 |
40 | 2E4 | 0.8793 |
41 | GHQ | 0.8789 |
42 | PRO GLY | 0.8787 |
43 | 7O4 | 0.8786 |
44 | HPO | 0.8783 |
45 | 2E6 | 0.8780 |
46 | MLY | 0.8772 |
47 | M5B | 0.8771 |
48 | 2E5 | 0.8771 |
49 | 6C9 | 0.8768 |
50 | NLQ | 0.8765 |
51 | HSA | 0.8763 |
52 | SSC | 0.8758 |
53 | DX5 | 0.8755 |
54 | MZM | 0.8752 |
55 | EGV | 0.8752 |
56 | 5RP | 0.8743 |
57 | G14 | 0.8742 |
58 | 0CM | 0.8739 |
59 | G6Q | 0.8738 |
60 | VFG | 0.8736 |
61 | A5P | 0.8734 |
62 | NFZ | 0.8732 |
63 | DER | 0.8729 |
64 | M3L | 0.8725 |
65 | XOG | 0.8724 |
66 | GGB | 0.8715 |
67 | 6HN | 0.8705 |
68 | D1G | 0.8703 |
69 | M3C | 0.8697 |
70 | 5TO | 0.8690 |
71 | HCA | 0.8684 |
72 | PTB | 0.8684 |
73 | GVA | 0.8683 |
74 | HJ7 | 0.8680 |
75 | S0E | 0.8671 |
76 | I58 | 0.8670 |
77 | GRQ | 0.8669 |
78 | PAN | 0.8667 |
79 | LVD | 0.8664 |
80 | PML | 0.8661 |
81 | EUE | 0.8655 |
82 | CUW | 0.8653 |
83 | BGT | 0.8638 |
84 | 4NS | 0.8635 |
85 | BSA | 0.8634 |
86 | 8SZ | 0.8632 |
87 | 8V8 | 0.8631 |
88 | F90 | 0.8630 |
89 | SB7 | 0.8625 |
90 | GNW | 0.8624 |
91 | 14W | 0.8623 |
92 | HPP | 0.8620 |
93 | DI6 | 0.8618 |
94 | ODK | 0.8605 |
95 | 36M | 0.8604 |
96 | 3YP | 0.8604 |
97 | 9W5 | 0.8604 |
98 | 7UC | 0.8599 |
99 | PPK | 0.8598 |
100 | S6P | 0.8598 |
101 | 1PS | 0.8596 |
102 | DAR | 0.8596 |
103 | NFA | 0.8594 |
104 | HS7 | 0.8589 |
105 | Q06 | 0.8587 |
106 | TX4 | 0.8581 |
107 | ENO | 0.8570 |
108 | GLY GLY GLY | 0.8570 |
109 | 4NP | 0.8568 |
110 | VGS | 0.8566 |
111 | G01 | 0.8564 |
112 | OOG | 0.8559 |
113 | KAP | 0.8558 |
114 | R5P | 0.8548 |
115 | 6C8 | 0.8540 |
116 | 5H6 | 0.8535 |
117 | VFM | 0.8532 |
118 | ING | 0.8531 |
119 | HCT | 0.8526 |
120 | GG8 | 0.8504 |
This union binding pocket(no: 1) in the query (biounit: 1nfs.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1nfs.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |