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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 | 3DGY | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
2 | 3D4A | - | 3GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
3 | 3D5I | - | SGP | C10 H12 N5 O6 P S | c1nc2c(n1[.... |
4 | 3DH2 | - | 3GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
5 | 2SAR | - | 3GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
6 | 1RSN | - | SGP | C10 H12 N5 O6 P S | c1nc2c(n1[.... |
7 | 1GMR | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
8 | 1GMP | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
9 | 1RGE | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 3DGY | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
2 | 3D4A | - | 3GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
3 | 3D5I | - | SGP | C10 H12 N5 O6 P S | c1nc2c(n1[.... |
4 | 3DH2 | - | 3GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
5 | 2SAR | - | 3GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
6 | 1RSN | - | SGP | C10 H12 N5 O6 P S | c1nc2c(n1[.... |
7 | 1GMR | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
8 | 1GMP | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
9 | 1RGE | - | 2GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | SGP | 1 | 1 |
2 | P2G | 0.614458 | 0.907895 |
3 | P1G | 0.6 | 0.896104 |
4 | GMP | 0.576923 | 0.78481 |
5 | GPX | 0.56383 | 0.871795 |
6 | 2GP | 0.517241 | 0.860759 |
7 | 3GP | 0.517241 | 0.871795 |
8 | 5GP | 0.488889 | 0.8375 |
9 | G | 0.488889 | 0.8375 |
10 | QQX | 0.488095 | 0.906667 |
11 | C2E | 0.483871 | 0.825 |
12 | 35G | 0.483871 | 0.835443 |
13 | PCG | 0.483871 | 0.835443 |
14 | GDP | 0.463158 | 0.82716 |
15 | 5GP 5GP | 0.463158 | 0.8125 |
16 | 1YC | 0.457944 | 0.846154 |
17 | GP3 | 0.452632 | 0.807229 |
18 | GTP | 0.44898 | 0.82716 |
19 | GP2 | 0.447917 | 0.797619 |
20 | GCP | 0.444444 | 0.807229 |
21 | GNH | 0.443299 | 0.817073 |
22 | KB7 | 0.443299 | 0.72093 |
23 | GPG | 0.442308 | 0.819277 |
24 | G3D | 0.44 | 0.8375 |
25 | GSP | 0.44 | 0.876543 |
26 | G2P | 0.44 | 0.797619 |
27 | 1YD | 0.435185 | 0.825 |
28 | 4BW | 0.435185 | 0.825 |
29 | GMV | 0.434343 | 0.807229 |
30 | ALF 5GP | 0.434343 | 0.758621 |
31 | GAV | 0.431373 | 0.864198 |
32 | G4P | 0.431373 | 0.8375 |
33 | DGP | 0.430108 | 0.817073 |
34 | DG | 0.430108 | 0.817073 |
35 | GDP BEF | 0.43 | 0.795181 |
36 | G1R | 0.43 | 0.817073 |
37 | GTP MG | 0.425743 | 0.814815 |
38 | 9GM | 0.425743 | 0.807229 |
39 | GNP | 0.425743 | 0.807229 |
40 | UCG | 0.424 | 0.819277 |
41 | GH3 | 0.421569 | 0.82716 |
42 | DGI | 0.418367 | 0.807229 |
43 | 0O2 | 0.415094 | 0.8375 |
44 | 4UR | 0.413793 | 0.825 |
45 | GKE | 0.412844 | 0.819277 |
46 | GDC | 0.412844 | 0.819277 |
47 | Y9Z | 0.412844 | 0.772727 |
48 | GDD | 0.412844 | 0.819277 |
49 | KT2 | 0.411765 | 0.825 |
50 | GDP AF3 | 0.409524 | 0.758621 |
51 | GDP ALF | 0.409524 | 0.758621 |
52 | G2R | 0.40566 | 0.797619 |
53 | G3A | 0.405405 | 0.807229 |
54 | DGT | 0.401961 | 0.807229 |
55 | KBD | 0.401869 | 0.72093 |
56 | G5P | 0.401786 | 0.807229 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ACK | 0.9755 |
2 | QQY | 0.9694 |
3 | OVE | 0.9156 |
4 | 2AM | 0.9112 |
5 | XTS | 0.9100 |
6 | 4UO | 0.9071 |
7 | 101 | 0.9065 |
8 | 103 | 0.9056 |
9 | IMG | 0.9020 |
10 | ADN | 0.9018 |
11 | 3AM | 0.9010 |
12 | AZZ | 0.9010 |
13 | NOS | 0.9009 |
14 | AD3 | 0.8977 |
15 | GNG | 0.8973 |
16 | T3P | 0.8971 |
17 | 2FD | 0.8968 |
18 | FMC | 0.8929 |
19 | 7D7 | 0.8919 |
20 | MTA | 0.8904 |
21 | IMH | 0.8902 |
22 | 5FD | 0.8897 |
23 | 2FA | 0.8896 |
24 | CL9 | 0.8894 |
25 | 5CD | 0.8888 |
26 | UA2 | 0.8887 |
27 | 13A | 0.8886 |
28 | MG7 | 0.8883 |
29 | 5AD | 0.8879 |
30 | FMB | 0.8877 |
31 | MDR | 0.8877 |
32 | 6CR | 0.8875 |
33 | 9DI | 0.8874 |
34 | A4D | 0.8854 |
35 | 5N5 | 0.8852 |
36 | NWW | 0.8851 |
37 | 5NB | 0.8844 |
38 | TBN | 0.8838 |
39 | 3BH | 0.8822 |
40 | Y3J | 0.8821 |
41 | 6MD | 0.8821 |
42 | DBM | 0.8816 |
43 | TAL | 0.8816 |
44 | GA2 | 0.8805 |
45 | 1DA | 0.8800 |
46 | 3D1 | 0.8800 |
47 | A | 0.8792 |
48 | 8HG | 0.8788 |
49 | 5ID | 0.8773 |
50 | CFE | 0.8768 |
51 | M2T | 0.8765 |
52 | DCF | 0.8757 |
53 | 8OX | 0.8751 |
54 | RFZ | 0.8715 |
55 | PRH | 0.8712 |
56 | HPR | 0.8712 |
57 | MTP | 0.8708 |
58 | 3AD | 0.8701 |
59 | FTU | 0.8694 |
60 | QRP | 0.8693 |
61 | SA0 | 0.8686 |
62 | NOC | 0.8686 |
63 | RVC | 0.8680 |
64 | RPP | 0.8669 |
65 | 9RM | 0.8662 |
66 | MTM | 0.8657 |
67 | 26A | 0.8650 |
68 | AFX | 0.8645 |
69 | THM | 0.8641 |
70 | UM3 | 0.8634 |
71 | EZN | 0.8622 |
72 | BGC GAL | 0.8620 |
73 | ARJ | 0.8616 |
74 | MTH | 0.8595 |
75 | IXM | 0.8590 |
76 | LM7 | 0.8587 |
77 | MHD GAL | 0.8581 |
78 | AHU | 0.8578 |
79 | 0DN | 0.8573 |
80 | 683 | 0.8571 |
81 | F01 | 0.8568 |
82 | U3P | 0.8561 |
83 | ZYW | 0.8554 |
84 | N8M | 0.8540 |
85 | BMA BMA | 0.8535 |
This union binding pocket(no: 1) in the query (biounit: 1rge.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1GOY | 3GP | 33.3333 |