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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 1331 families. | |||||
1 | 4UUX | - | APR | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
2 | 4UOC | - | NCN | C11 H14 N O9 P | c1cc(c[n+].... |
3 | 4UUW | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 4UUX | - | APR | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
2 | 4UOC | - | NCN | C11 H14 N O9 P | c1cc(c[n+].... |
3 | 4UUW | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NCN | 1 | 1 |
2 | NMN | 0.647887 | 0.892308 |
3 | DND | 0.53 | 0.808219 |
4 | NNR | 0.492958 | 0.742424 |
5 | 8ID | 0.462264 | 0.74359 |
6 | A7R | 0.45098 | 0.794521 |
7 | NAD IBO | 0.435185 | 0.791667 |
8 | NAD TDB | 0.435185 | 0.791667 |
9 | NAJ | 0.432432 | 0.780822 |
10 | NAD | 0.424779 | 0.805556 |
11 | NHD | 0.424779 | 0.805556 |
12 | NFD | 0.417391 | 0.763158 |
13 | A3D | 0.417391 | 0.794521 |
14 | NGD | 0.414414 | 0.74359 |
15 | NBP | 0.413223 | 0.74359 |
16 | AMP NAD | 0.412281 | 0.805556 |
17 | N01 | 0.401709 | 0.780822 |
18 | NDO | 0.4 | 0.794521 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | AMP | 0.9424 |
2 | CNU | 0.9356 |
3 | G | 0.9315 |
4 | IMP | 0.9309 |
5 | 5GP | 0.9288 |
6 | C2R | 0.9231 |
7 | 8BR | 0.9229 |
8 | DU | 0.9224 |
9 | TMP | 0.9209 |
10 | C5P | 0.9197 |
11 | U | 0.9195 |
12 | U5P | 0.9190 |
13 | 5HU | 0.9166 |
14 | DA | 0.9157 |
15 | UFP | 0.9146 |
16 | 5FU | 0.9141 |
17 | 5BU | 0.9136 |
18 | TKW | 0.9135 |
19 | UMP | 0.9130 |
20 | BRU | 0.9125 |
21 | AMZ | 0.9120 |
22 | C | 0.9115 |
23 | NIA | 0.9103 |
24 | FMP | 0.9101 |
25 | 5CM | 0.9094 |
26 | PFU | 0.9060 |
27 | 5IU | 0.9049 |
28 | QBT | 0.9033 |
29 | FNU | 0.9029 |
30 | IMU | 0.9014 |
31 | XMP | 0.9007 |
32 | NYM | 0.9004 |
33 | DUS | 0.8991 |
34 | 8OP | 0.8988 |
35 | IRP | 0.8981 |
36 | 6MA | 0.8975 |
37 | H2U | 0.8973 |
38 | 2DT | 0.8973 |
39 | D4M | 0.8973 |
40 | DCM | 0.8960 |
41 | D5M | 0.8951 |
42 | CAR | 0.8942 |
43 | DGP | 0.8934 |
44 | CH | 0.8928 |
45 | FN5 | 0.8928 |
46 | 5HM | 0.8912 |
47 | 6MZ | 0.8906 |
48 | BVP | 0.8900 |
49 | 9L3 | 0.8890 |
50 | FDM | 0.8884 |
51 | AS | 0.8877 |
52 | 6CG | 0.8875 |
53 | QIU | 0.8871 |
54 | N5O | 0.8867 |
55 | DG | 0.8859 |
56 | ZAS | 0.8857 |
57 | 71V | 0.8857 |
58 | T3S | 0.8854 |
59 | UMC | 0.8850 |
60 | J7C | 0.8830 |
61 | 93A | 0.8825 |
62 | M8Q | 0.8823 |
63 | U4S | 0.8807 |
64 | 6OG | 0.8801 |
65 | 8GM | 0.8799 |
66 | 6RE | 0.8799 |
67 | NEC | 0.8796 |
68 | DC | 0.8795 |
69 | 16B | 0.8789 |
70 | Z8B | 0.8772 |
71 | AOC | 0.8771 |
72 | PSU | 0.8769 |
73 | EU2 | 0.8765 |
74 | NWQ | 0.8747 |
75 | 7D5 | 0.8746 |
76 | MTA | 0.8737 |
77 | 8EQ | 0.8736 |
78 | SU1 | 0.8734 |
79 | ATM | 0.8727 |
80 | BMP | 0.8724 |
81 | BMQ | 0.8722 |
82 | G7M | 0.8718 |
83 | 8OG | 0.8712 |
84 | FYK | 0.8708 |
85 | DOC | 0.8701 |
86 | NUP | 0.8672 |
87 | A3N | 0.8660 |
88 | DDN | 0.8658 |
89 | 1QJ | 0.8620 |
90 | ICR | 0.8615 |
91 | 43J | 0.8610 |
92 | PP3 | 0.8606 |
93 | U3S | 0.8604 |
94 | 4ZK | 0.8592 |
95 | U1S | 0.8575 |
96 | U2S | 0.8570 |
97 | CA0 | 0.8562 |
98 | 0JO | 0.8543 |
This union binding pocket(no: 1) in the query (biounit: 4uuw.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |