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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 261 families. | |||||
1 | 4OHB | - | 5HM | C10 H16 N3 O9 P | C1=C(C(=NC.... |
2 | 4JEM | - | C5P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 214 families. | |||||
1 | 4OHB | - | 5HM | C10 H16 N3 O9 P | C1=C(C(=NC.... |
2 | 4JEM | - | C5P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 5HM | 1 | 1 |
2 | TKW | 0.681159 | 0.958333 |
3 | C5P | 0.575342 | 0.944444 |
4 | C | 0.575342 | 0.944444 |
5 | CAR | 0.575342 | 0.944444 |
6 | 16B | 0.519481 | 0.881579 |
7 | 5FU | 0.480519 | 0.855263 |
8 | CDP | 0.47561 | 0.958333 |
9 | CNU | 0.469136 | 0.917808 |
10 | 5BU | 0.468354 | 0.855263 |
11 | ICR | 0.468354 | 0.84 |
12 | U5P | 0.467532 | 0.888889 |
13 | U | 0.467532 | 0.888889 |
14 | F01 | 0.465753 | 0.815789 |
15 | CTP | 0.458824 | 0.958333 |
16 | HF4 | 0.458824 | 0.958333 |
17 | 7XL | 0.454545 | 0.932432 |
18 | 2TM | 0.448276 | 0.92 |
19 | JW5 | 0.432099 | 0.90411 |
20 | C2G | 0.423913 | 0.945205 |
21 | CDP MG | 0.423529 | 0.90411 |
22 | 0RC | 0.422222 | 0.907895 |
23 | NUP | 0.419753 | 0.931507 |
24 | UP6 | 0.4125 | 0.84 |
25 | C5G | 0.412371 | 0.932432 |
26 | 5AE | 0.405405 | 0.794521 |
27 | BMQ | 0.405063 | 0.837838 |
28 | 8OP | 0.404494 | 0.810127 |
29 | CDM | 0.402062 | 0.884615 |
30 | H2U | 0.4 | 0.815789 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | G | 0.9627 |
2 | TMP | 0.9493 |
3 | 5GP | 0.9474 |
4 | AMP | 0.9472 |
5 | QBT | 0.9456 |
6 | 5CM | 0.9446 |
7 | BRU | 0.9439 |
8 | UFP | 0.9434 |
9 | IMP | 0.9408 |
10 | 5HU | 0.9406 |
11 | 5IU | 0.9358 |
12 | 8GM | 0.9332 |
13 | NYM | 0.9297 |
14 | NMN | 0.9278 |
15 | 2DT | 0.9205 |
16 | BMP | 0.9204 |
17 | IRP | 0.9200 |
18 | 8OG | 0.9189 |
19 | FN5 | 0.9167 |
20 | CH | 0.9167 |
21 | DCM | 0.9167 |
22 | XMP | 0.9160 |
23 | 8BR | 0.9160 |
24 | UMP | 0.9140 |
25 | FMP | 0.9139 |
26 | IMU | 0.9134 |
27 | UMC | 0.9133 |
28 | DU | 0.9130 |
29 | T3S | 0.9115 |
30 | FDM | 0.9094 |
31 | DUS | 0.9082 |
32 | 71V | 0.9076 |
33 | DA | 0.9057 |
34 | D5M | 0.9057 |
35 | D4M | 0.9051 |
36 | S5P | 0.9043 |
37 | 9L3 | 0.9014 |
38 | DDN | 0.9012 |
39 | FNU | 0.8997 |
40 | U4S | 0.8995 |
41 | PSU | 0.8989 |
42 | DGP | 0.8985 |
43 | DG | 0.8982 |
44 | O8M | 0.8978 |
45 | U6M | 0.8958 |
46 | C2R | 0.8953 |
47 | NCN | 0.8912 |
48 | 6CN | 0.8909 |
49 | 35G | 0.8887 |
50 | PFU | 0.8886 |
51 | PCG | 0.8885 |
52 | 75G | 0.8834 |
53 | AIR | 0.8817 |
54 | U1S | 0.8796 |
55 | U3S | 0.8793 |
56 | 6J7 | 0.8792 |
57 | DOC | 0.8790 |
58 | DC | 0.8776 |
59 | U2S | 0.8755 |
60 | G7M | 0.8661 |
61 | AMZ | 0.8655 |
62 | MTA | 0.8598 |
63 | 3F5 | 0.8596 |
64 | NEC | 0.8593 |
65 | N5O | 0.8583 |
66 | IGP | 0.8551 |
67 | A8M | 0.8532 |
This union binding pocket(no: 1) in the query (biounit: 4ohb.bio2) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4ohb.bio2) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4ohb.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |