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- 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 2 families. | |||||
1 | 1L4G | - | NCN | C11 H14 N O9 P | c1cc(c[n+].... |
2 | 1D0S | - | DMD | C9 H10 N2 | Cc1cc2c(cc.... |
3 | 1L4K | - | NCN | C11 H14 N O9 P | c1cc(c[n+].... |
4 | 4KQF | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
5 | 4KQJ | - | PCR | C7 H8 O | Cc1ccc(cc1.... |
6 | 1L4F | - | NCN | C11 H14 N O9 P | c1cc(c[n+].... |
7 | 1JHV | - | PCR | C7 H8 O | Cc1ccc(cc1.... |
8 | 4KQG | - | DMD | C9 H10 N2 | Cc1cc2c(cc.... |
9 | 1L4N | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
10 | 1JHM | - | 5MB | C8 H8 N2 | Cc1ccc2c(c.... |
11 | 1JHU | - | PCR | C7 H8 O | Cc1ccc(cc1.... |
12 | 1JH8 | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
13 | 1L4M | - | NCN | C11 H14 N O9 P | c1cc(c[n+].... |
14 | 1L5L | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
15 | 1L4L | - | XYD | C8 H11 N | Cc1ccc(c(c.... |
16 | 1JHQ | - | PMO | C13 H17 N2 O8 P | COc1ccc2c(.... |
17 | 1L5K | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
18 | 1JHP | - | 5OB | C8 H8 N2 O | COc1ccc2c(.... |
19 | 1JHY | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
20 | 1L5M | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
21 | 1JHA | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
22 | 1JHX | - | IPH | C6 H6 O | c1ccc(cc1).... |
23 | 1JHO | - | RMB | C13 H17 N2 O7 P | Cc1ccc2c(c.... |
24 | 1JHR | - | P2P | C10 H13 N4 O8 P | c1c2c(ncn2.... |
25 | 1L4E | - | RBZ | C14 H19 N2 O7 P | Cc1cc2c(cc.... |
26 | 4KQK | - | PCR | C7 H8 O | Cc1ccc(cc1.... |
27 | 1D0V | - | RBZ | C14 H19 N2 O7 P | Cc1cc2c(cc.... |
28 | 1L5O | - | NCN | C11 H14 N O9 P | c1cc(c[n+].... |
29 | 1L5F | - | BZI | C7 H6 N2 | c1ccc2c(c1.... |
30 | 1L4H | - | NCN | C11 H14 N O9 P | c1cc(c[n+].... |
31 | 4KQI | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 1L4G | - | NCN | C11 H14 N O9 P | c1cc(c[n+].... |
2 | 1D0S | - | DMD | C9 H10 N2 | Cc1cc2c(cc.... |
3 | 1L4K | - | NCN | C11 H14 N O9 P | c1cc(c[n+].... |
4 | 4KQF | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
5 | 4KQJ | - | PCR | C7 H8 O | Cc1ccc(cc1.... |
6 | 1L4F | - | NCN | C11 H14 N O9 P | c1cc(c[n+].... |
7 | 1JHV | - | PCR | C7 H8 O | Cc1ccc(cc1.... |
8 | 4KQG | - | DMD | C9 H10 N2 | Cc1cc2c(cc.... |
9 | 1L4N | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
10 | 1JHM | - | 5MB | C8 H8 N2 | Cc1ccc2c(c.... |
11 | 1JHU | - | PCR | C7 H8 O | Cc1ccc(cc1.... |
12 | 1JH8 | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
13 | 1L4M | - | NCN | C11 H14 N O9 P | c1cc(c[n+].... |
14 | 1L5L | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
15 | 1L4L | - | XYD | C8 H11 N | Cc1ccc(c(c.... |
16 | 1JHQ | - | PMO | C13 H17 N2 O8 P | COc1ccc2c(.... |
17 | 1L5K | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
18 | 1JHP | - | 5OB | C8 H8 N2 O | COc1ccc2c(.... |
19 | 1JHY | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
20 | 1L5M | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
21 | 1JHA | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
22 | 1JHX | - | IPH | C6 H6 O | c1ccc(cc1).... |
23 | 1JHO | - | RMB | C13 H17 N2 O7 P | Cc1ccc2c(c.... |
24 | 1JHR | - | P2P | C10 H13 N4 O8 P | c1c2c(ncn2.... |
25 | 1L4E | - | RBZ | C14 H19 N2 O7 P | Cc1cc2c(cc.... |
26 | 4KQK | - | PCR | C7 H8 O | Cc1ccc(cc1.... |
27 | 1D0V | - | RBZ | C14 H19 N2 O7 P | Cc1cc2c(cc.... |
28 | 1L5O | - | NCN | C11 H14 N O9 P | c1cc(c[n+].... |
29 | 1L5F | - | BZI | C7 H6 N2 | c1ccc2c(c1.... |
30 | 1L4H | - | NCN | C11 H14 N O9 P | c1cc(c[n+].... |
31 | 4KQI | - | NIO | C6 H5 N O2 | c1cc(cnc1).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | AAM | 1 | 1 |
2 | A | 0.571429 | 1 |
3 | AMP | 0.571429 | 1 |
4 | 7RA | 0.55 | 0.985507 |
5 | 7RP | 0.5375 | 0.955882 |
6 | C2R | 0.532468 | 0.876712 |
7 | AMZ | 0.532468 | 0.888889 |
8 | AIR | 0.527027 | 0.927536 |
9 | NIA | 0.518987 | 0.820513 |
10 | P2P | 0.493976 | 0.928571 |
11 | FAI | 0.493976 | 0.888889 |
12 | 6MZ | 0.488095 | 0.957143 |
13 | 71V | 0.482353 | 0.906667 |
14 | ADP | 0.476744 | 0.971429 |
15 | ABM | 0.47619 | 0.943662 |
16 | JLN | 0.47619 | 0.863014 |
17 | RMB | 0.47619 | 0.898551 |
18 | IMO | 0.47619 | 0.928571 |
19 | 45A | 0.47619 | 0.943662 |
20 | A2D | 0.47619 | 0.943662 |
21 | 1RB | 0.47561 | 0.911765 |
22 | RBZ | 0.46988 | 0.873239 |
23 | G | 0.465909 | 0.905405 |
24 | 5GP | 0.465909 | 0.905405 |
25 | AP2 | 0.465116 | 0.931507 |
26 | BA3 | 0.465116 | 0.943662 |
27 | A12 | 0.465116 | 0.931507 |
28 | ATP | 0.460674 | 0.971429 |
29 | HEJ | 0.460674 | 0.971429 |
30 | B4P | 0.45977 | 0.943662 |
31 | AP5 | 0.45977 | 0.943662 |
32 | 25A | 0.458333 | 0.971429 |
33 | APC | 0.455556 | 0.931507 |
34 | PRX | 0.455556 | 0.917808 |
35 | AQP | 0.455556 | 0.971429 |
36 | 5FA | 0.455556 | 0.971429 |
37 | AT4 | 0.454545 | 0.931507 |
38 | AN2 | 0.454545 | 0.957747 |
39 | SRA | 0.452381 | 0.944444 |
40 | M33 | 0.449438 | 0.930556 |
41 | ADX | 0.449438 | 0.848101 |
42 | AU1 | 0.449438 | 0.944444 |
43 | CA0 | 0.449438 | 0.917808 |
44 | PMO | 0.448276 | 0.873239 |
45 | ACP | 0.444444 | 0.944444 |
46 | 50T | 0.444444 | 0.957747 |
47 | KG4 | 0.444444 | 0.917808 |
48 | IMP | 0.443182 | 0.90411 |
49 | ACQ | 0.44086 | 0.944444 |
50 | TAT | 0.44086 | 0.931507 |
51 | T99 | 0.44086 | 0.931507 |
52 | 6IA | 0.44086 | 0.858974 |
53 | AR6 | 0.43956 | 0.943662 |
54 | APR | 0.43956 | 0.943662 |
55 | 93A | 0.438202 | 0.804878 |
56 | ADP MG | 0.438202 | 0.942857 |
57 | 8BR | 0.436782 | 0.931507 |
58 | ADV | 0.434783 | 0.905405 |
59 | RBY | 0.434783 | 0.905405 |
60 | SAP | 0.434783 | 0.918919 |
61 | AGS | 0.434783 | 0.918919 |
62 | AD9 | 0.434783 | 0.944444 |
63 | IRN | 0.434211 | 0.867647 |
64 | PGS | 0.433333 | 0.857143 |
65 | RVP | 0.432099 | 0.847222 |
66 | 6C6 | 0.430108 | 0.905405 |
67 | 6YZ | 0.427083 | 0.944444 |
68 | ANP | 0.425532 | 0.944444 |
69 | HQG | 0.42268 | 0.957747 |
70 | 7DD | 0.422222 | 0.957143 |
71 | G7M | 0.422222 | 0.87013 |
72 | 1PR | 0.421569 | 0.820513 |
73 | 5AL | 0.421053 | 0.930556 |
74 | 8LE | 0.421053 | 0.893333 |
75 | APC MG | 0.419355 | 0.916667 |
76 | ADP PO3 | 0.419355 | 0.942857 |
77 | ATP MG | 0.419355 | 0.942857 |
78 | A22 | 0.418367 | 0.957747 |
79 | ITT | 0.417582 | 0.915493 |
80 | ATF | 0.416667 | 0.931507 |
81 | 2SA | 0.416667 | 0.905405 |
82 | A3P | 0.41573 | 0.971014 |
83 | A2P | 0.41573 | 0.956522 |
84 | 5SV | 0.414141 | 0.87013 |
85 | 8LH | 0.412371 | 0.905405 |
86 | SRP | 0.412371 | 0.905405 |
87 | GAP | 0.410526 | 0.891892 |
88 | ADQ | 0.41 | 0.917808 |
89 | 7DT | 0.408602 | 0.957143 |
90 | GUO | 0.408163 | 0.864865 |
91 | PTJ | 0.407767 | 0.894737 |
92 | SON | 0.406593 | 0.931507 |
93 | 00A | 0.405941 | 0.881579 |
94 | DLL | 0.405941 | 0.930556 |
95 | 7D5 | 0.404762 | 0.902778 |
96 | MAP | 0.40404 | 0.918919 |
97 | 8LQ | 0.40404 | 0.905405 |
98 | ADP ALF | 0.402062 | 0.868421 |
99 | ALF ADP | 0.402062 | 0.868421 |
100 | ADP BMA | 0.401961 | 0.891892 |
101 | 6K6 | 0.4 | 0.957143 |
102 | OOB | 0.4 | 0.930556 |
103 | 9ZD | 0.4 | 0.906667 |
104 | 8QN | 0.4 | 0.930556 |
105 | 9ZA | 0.4 | 0.906667 |
106 | JSQ | 0.4 | 0.918919 |
107 | HFD | 0.4 | 0.918919 |
108 | OZV | 0.4 | 0.943662 |
This union binding pocket(no: 1) in the query (biounit: 4kqi.bio1) has 45 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4kqi.bio1) has 45 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4kqi.bio1) has 45 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4kqi.bio1) has 45 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |