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- PDB : .ZIP | .CSV
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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 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 | QQY | 1 | 1 |
2 | ACK | 0.735294 | 0.941176 |
3 | QQX | 0.695652 | 0.985507 |
4 | KL2 | 0.583333 | 0.887324 |
5 | 7D7 | 0.567164 | 0.739726 |
6 | RAB | 0.536232 | 0.767123 |
7 | ADN | 0.536232 | 0.767123 |
8 | XYA | 0.536232 | 0.767123 |
9 | 5N5 | 0.521127 | 0.743243 |
10 | A4D | 0.513889 | 0.767123 |
11 | GGZ | 0.511111 | 0.822785 |
12 | 7D5 | 0.493506 | 0.802632 |
13 | 5CD | 0.493151 | 0.72973 |
14 | OVE | 0.4875 | 0.90411 |
15 | 2AM | 0.487179 | 0.863014 |
16 | M2T | 0.486842 | 0.6875 |
17 | 3AM | 0.481013 | 0.875 |
18 | A | 0.475 | 0.837838 |
19 | AMP | 0.475 | 0.837838 |
20 | LQJ | 0.474747 | 0.864865 |
21 | EP4 | 0.473684 | 0.683544 |
22 | NWW | 0.472973 | 0.708333 |
23 | 3AD | 0.472973 | 0.777778 |
24 | A3S | 0.470588 | 0.736842 |
25 | DTA | 0.467532 | 0.76 |
26 | 5AD | 0.464789 | 0.71831 |
27 | A3G | 0.463415 | 0.727273 |
28 | MTA | 0.461538 | 0.723684 |
29 | AV2 | 0.461538 | 0.84 |
30 | J7C | 0.457831 | 0.7 |
31 | LMS | 0.45679 | 0.759036 |
32 | ZAS | 0.45679 | 0.696203 |
33 | 3L1 | 0.453333 | 0.723684 |
34 | 3D1 | 0.453333 | 0.723684 |
35 | 7D3 | 0.452381 | 0.782051 |
36 | AMP MG | 0.451219 | 0.824324 |
37 | 6RE | 0.451219 | 0.691358 |
38 | 3DH | 0.45 | 0.723684 |
39 | A2P | 0.447059 | 0.849315 |
40 | CMP | 0.447059 | 0.847222 |
41 | 2BA | 0.447059 | 0.835616 |
42 | A3P | 0.447059 | 0.837838 |
43 | DSH | 0.445783 | 0.7 |
44 | AOC | 0.445783 | 0.723684 |
45 | ADP | 0.44186 | 0.815789 |
46 | 45A | 0.440476 | 0.815789 |
47 | ABM | 0.440476 | 0.815789 |
48 | A2D | 0.440476 | 0.815789 |
49 | Y3J | 0.44 | 0.69863 |
50 | RP1 | 0.439024 | 0.890411 |
51 | SP1 | 0.439024 | 0.890411 |
52 | CC5 | 0.438356 | 0.739726 |
53 | AT4 | 0.436782 | 0.855263 |
54 | S4M | 0.435294 | 0.643678 |
55 | SRA | 0.433735 | 0.866667 |
56 | 7D4 | 0.431818 | 0.782051 |
57 | AU1 | 0.431818 | 0.794872 |
58 | MAO | 0.430233 | 0.674419 |
59 | BA3 | 0.430233 | 0.815789 |
60 | A12 | 0.430233 | 0.78481 |
61 | AP2 | 0.430233 | 0.78481 |
62 | SO8 | 0.428571 | 0.717949 |
63 | NEC | 0.428571 | 0.72 |
64 | A3T | 0.426966 | 0.746667 |
65 | ATP | 0.426966 | 0.815789 |
66 | 5X8 | 0.426966 | 0.714286 |
67 | HEJ | 0.426966 | 0.815789 |
68 | 2VA | 0.426966 | 0.727273 |
69 | AP5 | 0.425287 | 0.815789 |
70 | AF2 AF2 AF2 AF2 AF2 AF2 | 0.425287 | 0.763158 |
71 | B4P | 0.425287 | 0.815789 |
72 | 5AS | 0.425287 | 0.735632 |
73 | T99 | 0.423913 | 0.855263 |
74 | TAT | 0.423913 | 0.855263 |
75 | A3N | 0.423529 | 0.714286 |
76 | 0UM | 0.42268 | 0.654762 |
77 | APC | 0.422222 | 0.78481 |
78 | 5FA | 0.422222 | 0.815789 |
79 | 2A5 | 0.422222 | 0.794872 |
80 | AQP | 0.422222 | 0.815789 |
81 | ADP BEF | 0.420455 | 0.813333 |
82 | ADP MG | 0.420455 | 0.813333 |
83 | SON | 0.420455 | 0.78481 |
84 | AN2 | 0.420455 | 0.805195 |
85 | A7D | 0.420455 | 0.75 |
86 | GJV | 0.418605 | 0.682927 |
87 | NVA 2AD | 0.417582 | 0.691358 |
88 | ATR | 0.417582 | 0.837838 |
89 | PAP | 0.417582 | 0.826667 |
90 | 101 | 0.416667 | 0.826667 |
91 | MHZ | 0.41573 | 0.655172 |
92 | ADX | 0.41573 | 0.780488 |
93 | M33 | 0.41573 | 0.805195 |
94 | CA0 | 0.41573 | 0.794872 |
95 | NWQ | 0.414634 | 0.689189 |
96 | SAH | 0.413043 | 0.696203 |
97 | VRT | 0.413043 | 0.7 |
98 | D5M | 0.411765 | 0.802632 |
99 | N5O | 0.411765 | 0.736842 |
100 | DA | 0.411765 | 0.802632 |
101 | CUU | 0.411111 | 0.815789 |
102 | ACP | 0.411111 | 0.794872 |
103 | SFG | 0.411111 | 0.679487 |
104 | KG4 | 0.411111 | 0.794872 |
105 | 50T | 0.411111 | 0.805195 |
106 | ARJ | 0.410256 | 0.69863 |
107 | AFX | 0.410256 | 0.653846 |
108 | V3L | 0.408602 | 0.815789 |
109 | ACQ | 0.408602 | 0.794872 |
110 | AR6 | 0.406593 | 0.815789 |
111 | PRX | 0.406593 | 0.794872 |
112 | APR | 0.406593 | 0.815789 |
113 | 5F1 | 0.405063 | 0.684211 |
114 | EEM | 0.404255 | 0.627907 |
115 | PPS | 0.404255 | 0.780488 |
116 | N5A | 0.402299 | 0.710526 |
117 | ATP MG | 0.402174 | 0.813333 |
118 | A5D | 0.402174 | 0.76 |
119 | ADP PO3 | 0.402174 | 0.813333 |
120 | AD9 | 0.402174 | 0.794872 |
121 | APC MG | 0.402174 | 0.792208 |
122 | RBY | 0.402174 | 0.78481 |
123 | ADV | 0.402174 | 0.78481 |
124 | AGS | 0.402174 | 0.844156 |
125 | SA8 | 0.402174 | 0.642857 |
126 | D3Y | 0.402062 | 0.717949 |
127 | TM1 | 0.401961 | 0.729412 |
128 | ANP MG | 0.4 | 0.805195 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | SGP | 0.9694 |
2 | 9DI | 0.9147 |
3 | FMC | 0.9144 |
4 | FMB | 0.9142 |
5 | 5FD | 0.9064 |
6 | 2GP | 0.9043 |
7 | TBN | 0.9029 |
8 | AD3 | 0.9011 |
9 | NOS | 0.8982 |
10 | FM1 | 0.8978 |
11 | DBM | 0.8964 |
12 | P2G | 0.8950 |
13 | 3BH | 0.8946 |
14 | MDR | 0.8946 |
15 | TAL | 0.8931 |
16 | XTS | 0.8926 |
17 | PRH | 0.8923 |
18 | 6MD | 0.8918 |
19 | GMP | 0.8910 |
20 | IMH | 0.8902 |
21 | 4UO | 0.8896 |
22 | 5ID | 0.8886 |
23 | UA2 | 0.8885 |
24 | MTP | 0.8884 |
25 | 1DA | 0.8883 |
26 | HPR | 0.8880 |
27 | FTU | 0.8855 |
28 | 5NB | 0.8847 |
29 | CFE | 0.8843 |
30 | 8OX | 0.8817 |
31 | 26A | 0.8804 |
32 | EKH | 0.8789 |
33 | GP0 | 0.8759 |
34 | MBY | 0.8754 |
35 | GNG | 0.8750 |
36 | JMQ | 0.8750 |
37 | RFZ | 0.8743 |
38 | AZZ | 0.8741 |
39 | 2FA | 0.8724 |
40 | PUR | 0.8715 |
41 | 5I5 | 0.8714 |
42 | DCF | 0.8713 |
43 | RPP | 0.8705 |
44 | MTH | 0.8702 |
45 | MTM | 0.8697 |
46 | URI | 0.8695 |
47 | F01 | 0.8688 |
48 | MG7 | 0.8681 |
49 | 5MD | 0.8672 |
50 | CL9 | 0.8668 |
51 | 6J3 | 0.8662 |
52 | 13A | 0.8657 |
53 | EZB | 0.8657 |
54 | GPK | 0.8654 |
55 | DK4 | 0.8654 |
56 | 5UD | 0.8653 |
57 | MTI | 0.8649 |
58 | THM | 0.8628 |
59 | NOC | 0.8627 |
60 | AGV | 0.8614 |
61 | GPU | 0.8567 |
62 | MCF | 0.8566 |
This union binding pocket(no: 1) in the query (biounit: 2xmi.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |