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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 | 5CQH | - | DC | C9 H14 N3 O7 P | C1[C@@H]([.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 5CQH | - | DC | C9 H14 N3 O7 P | C1[C@@H]([.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DCM | 1 | 1 |
2 | DC | 1 | 1 |
3 | YYY | 0.80597 | 0.985714 |
4 | DCP | 0.760563 | 0.985714 |
5 | 0KX | 0.75 | 0.958333 |
6 | DCP MG | 0.702703 | 0.957143 |
7 | DCZ | 0.693548 | 0.833333 |
8 | LDC | 0.693548 | 0.833333 |
9 | 5CM | 0.608108 | 0.958333 |
10 | DU | 0.561644 | 0.928571 |
11 | UMP | 0.561644 | 0.928571 |
12 | C5P | 0.540541 | 0.902778 |
13 | CAR | 0.540541 | 0.902778 |
14 | DOC | 0.540541 | 0.971429 |
15 | C | 0.540541 | 0.902778 |
16 | DDN | 0.527027 | 0.928571 |
17 | BRU | 0.506494 | 0.866667 |
18 | TMP | 0.506494 | 0.890411 |
19 | UFP | 0.493506 | 0.866667 |
20 | 5HU | 0.487179 | 0.878378 |
21 | 5IU | 0.481013 | 0.866667 |
22 | CPA | 0.480769 | 0.860759 |
23 | BVP | 0.464286 | 0.878378 |
24 | CDP | 0.463415 | 0.890411 |
25 | DCT | 0.458824 | 0.957747 |
26 | DUD | 0.451219 | 0.915493 |
27 | CGP | 0.449541 | 0.851852 |
28 | C3P | 0.448718 | 0.888889 |
29 | C2P | 0.448718 | 0.902778 |
30 | CTP | 0.447059 | 0.890411 |
31 | HF4 | 0.447059 | 0.890411 |
32 | GCQ | 0.44186 | 0.878378 |
33 | 8OG | 0.44186 | 0.873418 |
34 | LTT | 0.438356 | 0.780822 |
35 | 2TM | 0.436782 | 0.905405 |
36 | UC5 | 0.433735 | 0.902778 |
37 | 3TC | 0.432432 | 0.77027 |
38 | DUT | 0.430233 | 0.915493 |
39 | GTF | 0.426966 | 0.878378 |
40 | 0RC | 0.426966 | 0.868421 |
41 | 7XL | 0.426966 | 0.866667 |
42 | DUP | 0.425287 | 0.890411 |
43 | CTN | 0.424658 | 0.756757 |
44 | AR3 | 0.424658 | 0.756757 |
45 | DUN | 0.423529 | 0.890411 |
46 | UMC | 0.4125 | 0.875 |
47 | CXY | 0.412371 | 0.866667 |
48 | CDP MG | 0.411765 | 0.863014 |
49 | GEO | 0.407895 | 0.76 |
50 | QBT | 0.407407 | 0.863014 |
51 | TYD | 0.406977 | 0.878378 |
52 | I5A | 0.4 | 0.743243 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PSU | 0.9728 |
2 | U5P | 0.9664 |
3 | UP6 | 0.9650 |
4 | FN5 | 0.9584 |
5 | U | 0.9577 |
6 | BMP | 0.9541 |
7 | CH | 0.9529 |
8 | H2U | 0.9489 |
9 | DUS | 0.9471 |
10 | NUP | 0.9406 |
11 | BMQ | 0.9396 |
12 | NYM | 0.9372 |
13 | 5FU | 0.9355 |
14 | 5BU | 0.9348 |
15 | 16B | 0.9315 |
16 | FDM | 0.9314 |
17 | 9L3 | 0.9284 |
18 | U6M | 0.9284 |
19 | AMP | 0.9269 |
20 | C2R | 0.9267 |
21 | IMP | 0.9250 |
22 | PFU | 0.9247 |
23 | AIR | 0.9239 |
24 | S5P | 0.9235 |
25 | TKW | 0.9229 |
26 | DI | 0.9175 |
27 | DA | 0.9171 |
28 | D5M | 0.9171 |
29 | AS | 0.9169 |
30 | 2DT | 0.9165 |
31 | D4M | 0.9165 |
32 | FNU | 0.9148 |
33 | 6CN | 0.9141 |
34 | T3S | 0.9103 |
35 | AMZ | 0.9074 |
36 | ATM | 0.9043 |
37 | 8BR | 0.9006 |
38 | CNU | 0.8996 |
39 | 5GP | 0.8991 |
40 | IRP | 0.8986 |
41 | FMP | 0.8984 |
42 | AZU | 0.8962 |
43 | 5QT | 0.8939 |
44 | GAR | 0.8925 |
45 | 6MA | 0.8896 |
46 | IRN | 0.8876 |
47 | PZB | 0.8834 |
48 | TXS | 0.8795 |
49 | NMN | 0.8795 |
50 | NCN | 0.8795 |
51 | 8OP | 0.8786 |
52 | 5HM | 0.8776 |
53 | G | 0.8725 |
54 | DGP | 0.8718 |
55 | NEC | 0.8706 |
56 | OMP | 0.8695 |
57 | 6AU | 0.8693 |
58 | DG | 0.8690 |
59 | MTA | 0.8689 |
60 | HDU | 0.8673 |
61 | MTM | 0.8658 |
62 | UDP | 0.8658 |
63 | DUR | 0.8658 |
64 | N5O | 0.8646 |
65 | MTH | 0.8626 |
66 | JW5 | 0.8624 |
67 | IMU | 0.8616 |
68 | 2OM | 0.8615 |
69 | 6MZ | 0.8611 |
70 | I22 | 0.8601 |
71 | XMP | 0.8595 |
72 | 71V | 0.8568 |
73 | FAI | 0.8561 |
This union binding pocket(no: 1) in the query (biounit: 5cqh.bio1) has 4 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |