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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 | 4WDD | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
2 | 4WFR | - | 2AM | C10 H14 N5 O7 P | c1nc(c2c(n.... |
3 | 2YPH | - | QQY | C10 H12 N5 O5 P S | c1nc(c2c(n.... |
4 | 2YP0 | - | OVE | C10 H14 N5 O6 P S | c1nc(c2c(n.... |
5 | 3ZBS | - | OVE | C10 H14 N5 O6 P S | c1nc(c2c(n.... |
6 | 2YDB | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
7 | 2Y1P | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
8 | 4WDB | - | 2AM | C10 H14 N5 O7 P | c1nc(c2c(n.... |
9 | 3ZBR | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
10 | 2XMI | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
11 | 2YPE | - | ACK | C10 H12 N5 O6 P | c1nc(c2c(n.... |
12 | 4WDG | - | A2P | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
13 | 2YQ9 | - | 2AM | C10 H14 N5 O7 P | c1nc(c2c(n.... |
14 | 4WCA | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
15 | 4WDA | - | 2AM | C10 H14 N5 O7 P | c1nc(c2c(n.... |
16 | 2YOZ | - | OVE | C10 H14 N5 O6 P S | c1nc(c2c(n.... |
17 | 2YDD | - | 2AM | C10 H14 N5 O7 P | c1nc(c2c(n.... |
18 | 4WDF | - | A2P | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
19 | 2YPC | - | QQX | C10 H12 N5 O5 P S | c1nc(c2c(n.... |
20 | 3ZBZ | - | OVE | C10 H14 N5 O6 P S | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4WDD | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
2 | 4WFR | - | 2AM | C10 H14 N5 O7 P | c1nc(c2c(n.... |
3 | 2YPH | - | QQY | C10 H12 N5 O5 P S | c1nc(c2c(n.... |
4 | 2YP0 | - | OVE | C10 H14 N5 O6 P S | c1nc(c2c(n.... |
5 | 3ZBS | - | OVE | C10 H14 N5 O6 P S | c1nc(c2c(n.... |
6 | 2YDB | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
7 | 2Y1P | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
8 | 4WDB | - | 2AM | C10 H14 N5 O7 P | c1nc(c2c(n.... |
9 | 3ZBR | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
10 | 2XMI | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
11 | 2YPE | - | ACK | C10 H12 N5 O6 P | c1nc(c2c(n.... |
12 | 4WDG | - | A2P | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
13 | 2YQ9 | - | 2AM | C10 H14 N5 O7 P | c1nc(c2c(n.... |
14 | 4WCA | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
15 | 4WDA | - | 2AM | C10 H14 N5 O7 P | c1nc(c2c(n.... |
16 | 2YOZ | - | OVE | C10 H14 N5 O6 P S | c1nc(c2c(n.... |
17 | 2YDD | - | 2AM | C10 H14 N5 O7 P | c1nc(c2c(n.... |
18 | 4WDF | - | A2P | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
19 | 2YPC | - | QQX | C10 H12 N5 O5 P S | c1nc(c2c(n.... |
20 | 3ZBZ | - | OVE | C10 H14 N5 O6 P S | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | QQX | 1 | 1 |
2 | ACK | 0.720588 | 0.927536 |
3 | QQY | 0.695652 | 0.985507 |
4 | KL2 | 0.591549 | 0.875 |
5 | 7D7 | 0.575758 | 0.72973 |
6 | RAB | 0.544118 | 0.756757 |
7 | XYA | 0.544118 | 0.756757 |
8 | ADN | 0.544118 | 0.756757 |
9 | SP1 | 0.519481 | 0.90411 |
10 | RP1 | 0.519481 | 0.90411 |
11 | 5N5 | 0.507042 | 0.733333 |
12 | A4D | 0.5 | 0.756757 |
13 | 5CD | 0.5 | 0.72 |
14 | GGZ | 0.5 | 0.835443 |
15 | M2T | 0.493333 | 0.679012 |
16 | SGP | 0.488095 | 0.906667 |
17 | J7C | 0.481481 | 0.691358 |
18 | 7D5 | 0.480519 | 0.792208 |
19 | EP4 | 0.48 | 0.675 |
20 | 3AD | 0.479452 | 0.767123 |
21 | 3L1 | 0.479452 | 0.714286 |
22 | 3D1 | 0.479452 | 0.714286 |
23 | 6RE | 0.475 | 0.682927 |
24 | 2AM | 0.474359 | 0.851351 |
25 | DTA | 0.473684 | 0.75 |
26 | 5AD | 0.471429 | 0.708333 |
27 | A3G | 0.469136 | 0.717949 |
28 | 3AM | 0.468354 | 0.863014 |
29 | MTA | 0.467532 | 0.714286 |
30 | Y3J | 0.465753 | 0.689189 |
31 | LQJ | 0.464646 | 0.853333 |
32 | A | 0.4625 | 0.826667 |
33 | AMP | 0.4625 | 0.826667 |
34 | NWW | 0.459459 | 0.69863 |
35 | A3S | 0.458824 | 0.727273 |
36 | SRA | 0.45679 | 0.88 |
37 | OVE | 0.45679 | 0.891892 |
38 | 3DH | 0.455696 | 0.714286 |
39 | CMP | 0.452381 | 0.835616 |
40 | 2BA | 0.452381 | 0.824324 |
41 | MAO | 0.452381 | 0.666667 |
42 | AV2 | 0.450549 | 0.828947 |
43 | A3T | 0.448276 | 0.736842 |
44 | LMS | 0.444444 | 0.771084 |
45 | ZAS | 0.444444 | 0.6875 |
46 | CC5 | 0.444444 | 0.72973 |
47 | GJV | 0.440476 | 0.674699 |
48 | 7D3 | 0.440476 | 0.772152 |
49 | AMP MG | 0.439024 | 0.813333 |
50 | A3P | 0.435294 | 0.826667 |
51 | A2P | 0.435294 | 0.837838 |
52 | DSH | 0.433735 | 0.691358 |
53 | AOC | 0.433735 | 0.714286 |
54 | SO8 | 0.433333 | 0.708861 |
55 | 2VA | 0.431818 | 0.717949 |
56 | ADP | 0.430233 | 0.805195 |
57 | AF2 AF2 AF2 AF2 AF2 AF2 | 0.430233 | 0.753247 |
58 | 45A | 0.428571 | 0.805195 |
59 | A2D | 0.428571 | 0.805195 |
60 | ABM | 0.428571 | 0.805195 |
61 | A3N | 0.428571 | 0.705128 |
62 | 2A5 | 0.426966 | 0.78481 |
63 | S4M | 0.423529 | 0.636364 |
64 | 7D4 | 0.420455 | 0.772152 |
65 | M33 | 0.420455 | 0.794872 |
66 | MHZ | 0.420455 | 0.647727 |
67 | A12 | 0.418605 | 0.775 |
68 | AP2 | 0.418605 | 0.775 |
69 | BA3 | 0.418605 | 0.805195 |
70 | NEC | 0.416667 | 0.710526 |
71 | 5X8 | 0.41573 | 0.705128 |
72 | SFG | 0.41573 | 0.670886 |
73 | H1Q | 0.41573 | 0.792208 |
74 | HEJ | 0.41573 | 0.805195 |
75 | ATP | 0.41573 | 0.805195 |
76 | AP5 | 0.413793 | 0.805195 |
77 | 5AS | 0.413793 | 0.747126 |
78 | B4P | 0.413793 | 0.805195 |
79 | 5FA | 0.411111 | 0.805195 |
80 | AQP | 0.411111 | 0.805195 |
81 | APC | 0.411111 | 0.775 |
82 | 5F1 | 0.410256 | 0.675325 |
83 | AT4 | 0.409091 | 0.844156 |
84 | SON | 0.409091 | 0.775 |
85 | ADP BEF | 0.409091 | 0.802632 |
86 | AN2 | 0.409091 | 0.794872 |
87 | A7D | 0.409091 | 0.74026 |
88 | ADP MG | 0.409091 | 0.802632 |
89 | NVA 2AD | 0.406593 | 0.682927 |
90 | ATR | 0.406593 | 0.826667 |
91 | AGS | 0.406593 | 0.857143 |
92 | PAP | 0.406593 | 0.815789 |
93 | D3Y | 0.40625 | 0.708861 |
94 | 101 | 0.404762 | 0.815789 |
95 | CA0 | 0.404494 | 0.78481 |
96 | ADX | 0.404494 | 0.792683 |
97 | AU1 | 0.404494 | 0.78481 |
98 | ANP MG | 0.404255 | 0.794872 |
99 | NWQ | 0.402439 | 0.68 |
100 | VRT | 0.402174 | 0.691358 |
101 | N5O | 0.4 | 0.727273 |
102 | 50T | 0.4 | 0.794872 |
103 | ACP | 0.4 | 0.78481 |
104 | CUU | 0.4 | 0.805195 |
105 | DA | 0.4 | 0.792208 |
106 | D5M | 0.4 | 0.792208 |
107 | KG4 | 0.4 | 0.78481 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | FMC | 0.9079 |
2 | T3P | 0.9039 |
3 | AD3 | 0.9039 |
4 | FMB | 0.9025 |
5 | P2G | 0.9024 |
6 | TBN | 0.9022 |
7 | NOS | 0.9005 |
8 | 1DA | 0.8976 |
9 | MDR | 0.8956 |
10 | 9DI | 0.8948 |
11 | FM1 | 0.8933 |
12 | 5FD | 0.8932 |
13 | IMH | 0.8920 |
14 | 5ID | 0.8916 |
15 | TAL | 0.8915 |
16 | GMP | 0.8915 |
17 | 6MD | 0.8914 |
18 | AZZ | 0.8901 |
19 | 3BH | 0.8898 |
20 | 103 | 0.8886 |
21 | PRH | 0.8886 |
22 | GP0 | 0.8881 |
23 | UA2 | 0.8880 |
24 | HPR | 0.8876 |
25 | UM3 | 0.8847 |
26 | FTU | 0.8826 |
27 | MTP | 0.8822 |
28 | XTS | 0.8818 |
29 | 8OX | 0.8817 |
30 | NOC | 0.8812 |
31 | 5NB | 0.8806 |
32 | CFE | 0.8803 |
33 | 26A | 0.8800 |
34 | EKH | 0.8785 |
35 | URI | 0.8771 |
36 | BGC GAL | 0.8749 |
37 | MTI | 0.8749 |
38 | ARJ | 0.8744 |
39 | RFZ | 0.8744 |
40 | JMQ | 0.8735 |
41 | 2FA | 0.8732 |
42 | DCF | 0.8727 |
43 | 4UO | 0.8726 |
44 | MTH | 0.8721 |
45 | GPK | 0.8717 |
46 | 5I5 | 0.8709 |
47 | 6J3 | 0.8704 |
48 | GNG | 0.8700 |
49 | DK4 | 0.8700 |
50 | 5MD | 0.8693 |
51 | THM | 0.8689 |
52 | PUR | 0.8687 |
53 | EZB | 0.8679 |
54 | IXM | 0.8671 |
55 | CL9 | 0.8671 |
56 | 3Q0 | 0.8670 |
57 | 5UD | 0.8668 |
58 | AGV | 0.8623 |
59 | FHI | 0.8620 |
60 | 13A | 0.8619 |
61 | MTM | 0.8605 |
62 | IKY | 0.8580 |
63 | Z15 | 0.8575 |
64 | Z57 | 0.8560 |
65 | 21E | 0.8554 |
66 | IMK | 0.8553 |
67 | 6KP | 0.8546 |
68 | 2GD | 0.8540 |
69 | AOJ | 0.8539 |
70 | GPQ | 0.8518 |
This union binding pocket(no: 1) in the query (biounit: 2xmi.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |