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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 261 families. | |||||
1 | 3MWL | Kd = 579 uM | 8OX | C10 H13 N5 O5 | c1nc(c2c(n.... |
2 | 2GXS | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
3 | 2GXQ | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
4 | 3MWK | - | 8OP | C10 H14 N5 O8 P | c1nc(c2c(n.... |
5 | 3NBF | - | 8OP | C10 H14 N5 O8 P | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 23 families. | |||||
1 | 5GVR | - | LMR | C4 H6 O5 | C([C@@H](C.... |
2 | 3B7G | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
3 | 3MWK | - | 8OP | C10 H14 N5 O8 P | c1nc(c2c(n.... |
4 | 3NBF | - | 8OP | C10 H14 N5 O8 P | c1nc(c2c(n.... |
5 | 5ZBZ | Kd = 12.5 uM | SAU | C20 H14 N O4 | C[n+]1cc2c.... |
6 | 3DKP | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
7 | 3IUY | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 8OD | 1 | 1 |
2 | H6Y | 0.907895 | 1 |
3 | 8OP | 0.826667 | 0.986111 |
4 | 8OX | 0.702703 | 0.863014 |
5 | 8DD | 0.629214 | 0.934211 |
6 | G8D | 0.516129 | 0.85 |
7 | 8GT | 0.474227 | 0.85 |
8 | UDP | 0.47191 | 0.851351 |
9 | CDP | 0.445652 | 0.855263 |
10 | NUP | 0.443182 | 0.855263 |
11 | 7DD | 0.427083 | 0.931507 |
12 | UTP | 0.425532 | 0.851351 |
13 | 6AU | 0.423913 | 0.815789 |
14 | OMP | 0.423913 | 0.815789 |
15 | JW5 | 0.422222 | 0.805195 |
16 | U5F | 0.421053 | 0.851351 |
17 | 5GW | 0.42 | 0.831169 |
18 | BMP | 0.41573 | 0.828947 |
19 | S5P | 0.41573 | 0.7875 |
20 | BMQ | 0.413793 | 0.837838 |
21 | M7G | 0.411765 | 0.77907 |
22 | U6M | 0.411111 | 0.815789 |
23 | 6CN | 0.408602 | 0.818182 |
24 | FNU | 0.406593 | 0.8125 |
25 | CTP | 0.402062 | 0.855263 |
26 | HF4 | 0.402062 | 0.855263 |
27 | ADP | 0.402062 | 0.945205 |
28 | GDP | 0.401961 | 0.946667 |
29 | 2A5 | 0.4 | 0.87013 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 8OP | 1 | 1 |
2 | 8OD | 0.826667 | 0.986111 |
3 | H6Y | 0.794872 | 0.986111 |
4 | 8OX | 0.728571 | 0.849315 |
5 | NUP | 0.544304 | 0.842105 |
6 | JW5 | 0.518519 | 0.815789 |
7 | BMQ | 0.512821 | 0.849315 |
8 | BMP | 0.5125 | 0.815789 |
9 | S5P | 0.5125 | 0.775 |
10 | U6M | 0.506173 | 0.826667 |
11 | 8DD | 0.505376 | 0.921053 |
12 | FNU | 0.5 | 0.8 |
13 | 6CN | 0.5 | 0.828947 |
14 | OMP | 0.5 | 0.826667 |
15 | 6AU | 0.5 | 0.826667 |
16 | O7M | 0.477273 | 0.805195 |
17 | 8GM | 0.477273 | 0.848101 |
18 | O7E | 0.466667 | 0.805195 |
19 | UP6 | 0.445783 | 0.826667 |
20 | U | 0.428571 | 0.849315 |
21 | U5P | 0.428571 | 0.849315 |
22 | 5FU | 0.423529 | 0.794872 |
23 | H2U | 0.416667 | 0.826667 |
24 | 5HM | 0.404494 | 0.810127 |
25 | C | 0.402299 | 0.853333 |
26 | CAR | 0.402299 | 0.853333 |
27 | C5P | 0.402299 | 0.853333 |
28 | G8D | 0.402062 | 0.8375 |
29 | CNU | 0.4 | 0.805195 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | AMP | 0.9715 |
2 | IMP | 0.9680 |
3 | 8BR | 0.9659 |
4 | 5GP | 0.9576 |
5 | DA | 0.9562 |
6 | XMP | 0.9543 |
7 | FMP | 0.9517 |
8 | IRP | 0.9493 |
9 | IMU | 0.9467 |
10 | ABM | 0.9447 |
11 | N5O | 0.9438 |
12 | TKW | 0.9425 |
13 | 6MA | 0.9417 |
14 | 6MZ | 0.9417 |
15 | 6CG | 0.9414 |
16 | Z8B | 0.9364 |
17 | BRU | 0.9361 |
18 | 8OG | 0.9337 |
19 | G | 0.9324 |
20 | 5BU | 0.9317 |
21 | NEC | 0.9314 |
22 | UFP | 0.9314 |
23 | SRA | 0.9307 |
24 | 71V | 0.9303 |
25 | 5CM | 0.9277 |
26 | O8M | 0.9272 |
27 | C2R | 0.9244 |
28 | 45A | 0.9239 |
29 | D5M | 0.9234 |
30 | G7M | 0.9230 |
31 | MZP | 0.9223 |
32 | AMZ | 0.9212 |
33 | AS | 0.9210 |
34 | DGP | 0.9208 |
35 | DG | 0.9208 |
36 | PFU | 0.9208 |
37 | DI | 0.9206 |
38 | ZAS | 0.9205 |
39 | UMP | 0.9197 |
40 | A3N | 0.9195 |
41 | 5IU | 0.9192 |
42 | 7D5 | 0.9179 |
43 | 6OG | 0.9152 |
44 | MTA | 0.9146 |
45 | RVP | 0.9144 |
46 | NIA | 0.9124 |
47 | AOC | 0.9118 |
48 | 16B | 0.9111 |
49 | N8M | 0.9095 |
50 | A8M | 0.9094 |
51 | TMP | 0.9075 |
52 | 6RE | 0.9072 |
53 | CH | 0.9052 |
54 | FN5 | 0.9052 |
55 | PRX | 0.9051 |
56 | PSU | 0.9022 |
57 | J7C | 0.9018 |
58 | T3S | 0.9007 |
59 | 3F5 | 0.9002 |
60 | 93A | 0.8992 |
61 | NCN | 0.8988 |
62 | D4M | 0.8985 |
63 | 2DT | 0.8985 |
64 | JLN | 0.8983 |
65 | BVP | 0.8980 |
66 | NMN | 0.8974 |
67 | DUS | 0.8968 |
68 | C8M | 0.8952 |
69 | DU | 0.8950 |
70 | FDM | 0.8918 |
71 | 5HU | 0.8904 |
72 | QBT | 0.8885 |
73 | DCM | 0.8873 |
74 | CA0 | 0.8850 |
75 | GJV | 0.8811 |
76 | NWQ | 0.8801 |
77 | DC | 0.8786 |
78 | GDP | 0.8780 |
79 | ADP | 0.8777 |
80 | U4S | 0.8776 |
81 | ADX | 0.8766 |
82 | MCF | 0.8764 |
83 | UMC | 0.8754 |
84 | A4D | 0.8708 |
85 | U3S | 0.8705 |
86 | ADN | 0.8692 |
87 | GMP | 0.8681 |
88 | A3P | 0.8672 |
89 | DDN | 0.8652 |
90 | MTE | 0.8650 |
91 | IDP | 0.8648 |
92 | HDU | 0.8648 |
93 | DOC | 0.8647 |
94 | DBM | 0.8642 |
95 | KG4 | 0.8624 |
96 | A | 0.8568 |
97 | ATM | 0.8543 |
98 | FGN | 0.8520 |
This union binding pocket(no: 1) in the query (biounit: 3mwl.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |