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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 | RBZ | 1 | 1 |
2 | RMB | 0.694444 | 0.969231 |
3 | PMO | 0.653333 | 0.940298 |
4 | 1RB | 0.586667 | 0.953846 |
5 | 7RP | 0.5125 | 0.911765 |
6 | AMZ | 0.506494 | 0.821918 |
7 | C2R | 0.506494 | 0.810811 |
8 | P2P | 0.506173 | 0.885714 |
9 | 7RA | 0.506173 | 0.861111 |
10 | AIR | 0.5 | 0.857143 |
11 | 71V | 0.493976 | 0.794872 |
12 | NIA | 0.493671 | 0.759494 |
13 | FAI | 0.487805 | 0.821918 |
14 | A | 0.4875 | 0.873239 |
15 | AMP | 0.4875 | 0.873239 |
16 | RFZ | 0.486486 | 0.746479 |
17 | 6MZ | 0.481928 | 0.887324 |
18 | IMO | 0.46988 | 0.885714 |
19 | AAM | 0.46988 | 0.873239 |
20 | JLN | 0.46988 | 0.821918 |
21 | 5GP | 0.45977 | 0.815789 |
22 | G | 0.45977 | 0.815789 |
23 | PGS | 0.45977 | 0.794872 |
24 | IMP | 0.453488 | 0.837838 |
25 | 93A | 0.448276 | 0.746988 |
26 | 6C6 | 0.43956 | 0.815789 |
27 | 6IA | 0.434783 | 0.820513 |
28 | G7M | 0.431818 | 0.807692 |
29 | GUO | 0.431579 | 0.8 |
30 | XMP | 0.430233 | 0.826667 |
31 | IRN | 0.426667 | 0.907692 |
32 | RVP | 0.425 | 0.780822 |
33 | LJN | 0.418605 | 0.776316 |
34 | 45A | 0.418605 | 0.849315 |
35 | ABM | 0.418605 | 0.849315 |
36 | ITT | 0.411111 | 0.873239 |
37 | OK8 | 0.410526 | 0.789474 |
38 | 2SA | 0.410526 | 0.815789 |
39 | ADP | 0.404494 | 0.849315 |
40 | A2D | 0.402299 | 0.824324 |
41 | K2R | 0.401961 | 0.837838 |
42 | N6P | 0.4 | 0.898551 |
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 |