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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 | 5UY8 | ic50 < 5 nM | 8UM | C21 H20 F N3 O4 S2 | CC[C@]1(CC.... |
2 | 5UZ0 | ic50 = 16 nM | 8US | C17 H16 F N3 O4 S2 | c1cc(sc1N2.... |
3 | 1PKX | Ki = 0.12 uM | XMP | C10 H14 N4 O9 P | c1[nH+]c2c.... |
4 | 1M9N | Ki = 0.12 uM | XMP | C10 H14 N4 O9 P | c1[nH+]c2c.... |
5 | 2B1G | Ki = 0.23 uM | 13A | C9 H12 N4 O7 S | c1nc2c(n1[.... |
6 | 1THZ | Ki = 7.1 uM | 326 | C18 H16 N4 O9 S2 | Cc1cc(ccc1.... |
7 | 2B1I | Ki = 0.15 uM | 93A | C9 H13 N4 O10 P S | c1nc2c(n1[.... |
8 | 1G8M | - | G | C10 H14 N5 O8 P | c1nc2c(n1[.... |
9 | 1OZ0 | Kd = 20 nM | MS1 | C32 H34 N9 O15 P | c1cc(ccc1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 5UY8 | ic50 < 5 nM | 8UM | C21 H20 F N3 O4 S2 | CC[C@]1(CC.... |
2 | 5UZ0 | ic50 = 16 nM | 8US | C17 H16 F N3 O4 S2 | c1cc(sc1N2.... |
3 | 1PKX | Ki = 0.12 uM | XMP | C10 H14 N4 O9 P | c1[nH+]c2c.... |
4 | 1M9N | Ki = 0.12 uM | XMP | C10 H14 N4 O9 P | c1[nH+]c2c.... |
5 | 2B1G | Ki = 0.23 uM | 13A | C9 H12 N4 O7 S | c1nc2c(n1[.... |
6 | 1THZ | Ki = 7.1 uM | 326 | C18 H16 N4 O9 S2 | Cc1cc(ccc1.... |
7 | 2B1I | Ki = 0.15 uM | 93A | C9 H13 N4 O10 P S | c1nc2c(n1[.... |
8 | 1G8M | - | G | C10 H14 N5 O8 P | c1nc2c(n1[.... |
9 | 1OZ0 | Kd = 20 nM | MS1 | C32 H34 N9 O15 P | c1cc(ccc1C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 93A | 1 | 1 |
2 | 13A | 0.728571 | 0.950617 |
3 | IMP | 0.523256 | 0.841463 |
4 | G | 0.511364 | 0.821429 |
5 | 5GP | 0.511364 | 0.821429 |
6 | CZF | 0.5 | 0.864198 |
7 | NIA | 0.47619 | 0.75 |
8 | IMO | 0.471264 | 0.792683 |
9 | AMZ | 0.46988 | 0.82716 |
10 | C2R | 0.46988 | 0.817073 |
11 | AIR | 0.4625 | 0.790123 |
12 | 7RP | 0.45977 | 0.790123 |
13 | NYZ | 0.457447 | 0.804598 |
14 | AMP | 0.453488 | 0.804878 |
15 | 1RB | 0.453488 | 0.753086 |
16 | A | 0.453488 | 0.804878 |
17 | G7M | 0.450549 | 0.793103 |
18 | 6MZ | 0.449438 | 0.795181 |
19 | RBZ | 0.448276 | 0.746988 |
20 | 71V | 0.444444 | 0.781609 |
21 | RMB | 0.438202 | 0.743902 |
22 | P2P | 0.438202 | 0.771084 |
23 | 7RA | 0.438202 | 0.795181 |
24 | JLN | 0.438202 | 0.82716 |
25 | AAM | 0.438202 | 0.804878 |
26 | FAI | 0.438202 | 0.82716 |
27 | XMP | 0.433333 | 0.853659 |
28 | IDP | 0.431579 | 0.853659 |
29 | IRN | 0.43038 | 0.7375 |
30 | PMO | 0.428571 | 0.72619 |
31 | GDP | 0.42268 | 0.833333 |
32 | GP2 | 0.42268 | 0.804598 |
33 | 4UO | 0.416667 | 0.768293 |
34 | XTS | 0.416667 | 0.768293 |
35 | PGS | 0.414894 | 0.802326 |
36 | G2Q | 0.413462 | 0.804598 |
37 | GP3 | 0.412371 | 0.813953 |
38 | RVP | 0.411765 | 0.768293 |
39 | GTP 5GP | 0.410714 | 0.811765 |
40 | GTP | 0.41 | 0.833333 |
41 | GUO | 0.405941 | 0.807229 |
42 | GCP | 0.405941 | 0.813953 |
43 | GNH | 0.40404 | 0.845238 |
44 | G2P | 0.401961 | 0.804598 |
45 | R5I | 0.4 | 0.831325 |
46 | 2SA | 0.4 | 0.821429 |
47 | R7I | 0.4 | 0.831325 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ALF 5GP | 0.9434 |
2 | DGP | 0.9368 |
3 | IMU | 0.9358 |
4 | DG | 0.9293 |
5 | IRP | 0.9287 |
6 | 8GM | 0.9254 |
7 | 6MA | 0.9242 |
8 | AMP MG | 0.9175 |
9 | FMP | 0.9171 |
10 | 6OG | 0.9169 |
11 | 6CG | 0.9158 |
12 | 8OG | 0.9117 |
13 | ABM | 0.9107 |
14 | D5M | 0.9092 |
15 | DA | 0.9084 |
16 | DI | 0.9077 |
17 | ZAS | 0.9065 |
18 | 5CM | 0.9050 |
19 | 45A | 0.9004 |
20 | A3N | 0.9002 |
21 | 8OP | 0.8992 |
22 | 5IU | 0.8976 |
23 | PFU | 0.8961 |
24 | N5O | 0.8958 |
25 | TMP | 0.8949 |
26 | NEC | 0.8943 |
27 | AOC | 0.8936 |
28 | BRU | 0.8923 |
29 | UFP | 0.8922 |
30 | TKW | 0.8903 |
31 | MTA | 0.8864 |
32 | MTH | 0.8850 |
33 | AS | 0.8849 |
34 | NCN | 0.8825 |
35 | NWQ | 0.8824 |
36 | J7C | 0.8814 |
37 | MCF | 0.8813 |
38 | 6RE | 0.8726 |
39 | 5HU | 0.8694 |
40 | C5P | 0.8688 |
41 | ADP | 0.8679 |
42 | GMP | 0.8572 |
This union binding pocket(no: 1) in the query (biounit: 1oz0.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1oz0.bio1) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |