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- Structure Biounit | Ligand Information
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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 2 families. | |||||
1 | 4A1O | - | JLN | C10 H14 N3 O10 P | c1nc(c(n1[.... |
2 | 3ZZM | - | JLN | C10 H14 N3 O10 P | c1nc(c(n1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 4A1O | - | JLN | C10 H14 N3 O10 P | c1nc(c(n1[.... |
2 | 3ZZM | - | JLN | C10 H14 N3 O10 P | c1nc(c(n1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | JLN | 1 | 1 |
2 | FAI | 0.797101 | 0.971014 |
3 | C2R | 0.638889 | 0.985507 |
4 | AMZ | 0.573333 | 0.971014 |
5 | 2ER | 0.542553 | 0.905405 |
6 | 1PR | 0.510417 | 0.893333 |
7 | GUO | 0.5 | 0.943662 |
8 | NIA | 0.5 | 0.844156 |
9 | OK8 | 0.494505 | 0.957747 |
10 | AIR | 0.486842 | 0.927536 |
11 | 7RP | 0.481928 | 0.847222 |
12 | 7RA | 0.47619 | 0.851351 |
13 | P2P | 0.47619 | 0.824324 |
14 | AAM | 0.47619 | 0.863014 |
15 | A | 0.47561 | 0.863014 |
16 | AMP | 0.47561 | 0.863014 |
17 | 1RB | 0.47561 | 0.830986 |
18 | 6MZ | 0.470588 | 0.851351 |
19 | RBZ | 0.46988 | 0.821918 |
20 | 71V | 0.465116 | 0.810127 |
21 | 2SA | 0.462366 | 0.905405 |
22 | RMB | 0.458824 | 0.819444 |
23 | IMO | 0.458824 | 0.849315 |
24 | RVP | 0.45 | 0.873239 |
25 | PMO | 0.448276 | 0.797297 |
26 | 6C6 | 0.445652 | 0.807692 |
27 | IMP | 0.443182 | 0.90411 |
28 | 93A | 0.438202 | 0.82716 |
29 | 5GP | 0.433333 | 0.88 |
30 | G | 0.433333 | 0.88 |
31 | PGS | 0.433333 | 0.810127 |
32 | KG4 | 0.428571 | 0.891892 |
33 | 6IA | 0.425532 | 0.768293 |
34 | CA0 | 0.417582 | 0.891892 |
35 | IRN | 0.415584 | 0.867647 |
36 | 6K6 | 0.414141 | 0.851351 |
37 | 25A | 0.414141 | 0.864865 |
38 | ADP | 0.411111 | 0.890411 |
39 | LJN | 0.409091 | 0.815789 |
40 | A2D | 0.409091 | 0.864865 |
41 | K2R | 0.407767 | 0.853333 |
42 | V2G | 0.40625 | 0.846154 |
43 | ADX | 0.402174 | 0.780488 |
44 | ITT | 0.402174 | 0.863014 |
45 | BA3 | 0.4 | 0.864865 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | XMP | 0.9545 |
2 | IMU | 0.9358 |
3 | FMP | 0.9296 |
4 | IRP | 0.9255 |
5 | DGP | 0.9248 |
6 | 6MA | 0.9246 |
7 | DG | 0.9218 |
8 | D5M | 0.9203 |
9 | 6OG | 0.9190 |
10 | PFU | 0.9177 |
11 | 45A | 0.9160 |
12 | G7M | 0.9118 |
13 | MZP | 0.9117 |
14 | ABM | 0.9106 |
15 | AMP MG | 0.9080 |
16 | 8BR | 0.9068 |
17 | 8OG | 0.9061 |
18 | SRA | 0.9025 |
19 | 6RE | 0.9013 |
20 | 6CG | 0.9007 |
21 | U5P | 0.8996 |
22 | N5O | 0.8985 |
23 | 8OP | 0.8983 |
24 | DI | 0.8939 |
25 | ZAS | 0.8931 |
26 | EO7 | 0.8919 |
27 | AOC | 0.8906 |
28 | DA | 0.8904 |
29 | NEC | 0.8904 |
30 | AS | 0.8900 |
31 | A3N | 0.8897 |
32 | TMP | 0.8858 |
33 | C5P | 0.8841 |
34 | MTA | 0.8840 |
35 | J7C | 0.8815 |
36 | UP6 | 0.8801 |
37 | MCF | 0.8795 |
38 | 16B | 0.8784 |
39 | C | 0.8778 |
40 | H2U | 0.8763 |
41 | U | 0.8751 |
42 | TKW | 0.8728 |
43 | 2OM | 0.8721 |
44 | KB7 | 0.8707 |
45 | PSU | 0.8693 |
This union binding pocket(no: 1) in the query (biounit: 4a1o.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4a1o.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4a1o.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |