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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 1ISI | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
2 | 1ISJ | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
3 | 1ISH | - | ENP | C17 H24 N5 O17 P3 | c1cn2cnc3c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1ISI | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
2 | 1ISJ | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
3 | 1ISH | - | ENP | C17 H24 N5 O17 P3 | c1cn2cnc3c.... |
4 | 3I9L | - | N1C | C15 H20 N4 O14 P2 | c1nc2c3n1[.... |
5 | 1R15 | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
6 | 3ZWO | - | NGD | C21 H28 N7 O15 P2 | c1cc(c[n+].... |
7 | 3ZWN | - | NGD | C21 H28 N7 O15 P2 | c1cc(c[n+].... |
8 | 3I9K | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
9 | 1R16 | - | PYF | C6 H7 N O | c1cc(cnc1).... |
10 | 3ZWM | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
11 | 3I9J | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
12 | 4OGW | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
13 | 3ROP | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
14 | 3DZG | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
15 | 2HCT | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
16 | 2I66 | - | G1R G1R | n/a | n/a |
17 | 2O3S | - | CXR | C15 H21 N5 O13 P2 | [H]/N=C/1c.... |
18 | 3DZI | - | RGT | C15 H25 N5 O21 P4 | c1nc2c(n1[.... |
19 | 2I67 | - | APR | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
20 | 3DZK | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
21 | 3DZH | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
22 | 4TMF | - | JS2 | C14 H23 N5 O12 P2 | C1=Nc2c(nc.... |
23 | 2PGJ | ic50 = 0.26 mM | N1C | C15 H20 N4 O14 P2 | c1nc2c3n1[.... |
24 | 3DZJ | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
25 | 2O3Q | - | CXR | C15 H21 N5 O13 P2 | [H]/N=C/1c.... |
26 | 2O3T | - | CGR | C15 H23 N5 O14 P2 | C1[C@@H]2[.... |
27 | 2I65 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ENP | 1 | 1 |
2 | A2R | 0.670213 | 0.932432 |
3 | A22 | 0.54902 | 0.906667 |
4 | NA7 | 0.542857 | 0.883117 |
5 | ATR | 0.540816 | 0.891892 |
6 | APX | 0.527778 | 0.884615 |
7 | A2P | 0.494845 | 0.878378 |
8 | AR6 | 0.470588 | 0.918919 |
9 | APR | 0.470588 | 0.918919 |
10 | XNP | 0.464 | 0.807229 |
11 | NPW | 0.463415 | 0.819277 |
12 | NZQ | 0.459677 | 0.839506 |
13 | NDP | 0.451613 | 0.85 |
14 | TXP | 0.448 | 0.85 |
15 | 25L | 0.447368 | 0.906667 |
16 | ODP | 0.444444 | 0.886076 |
17 | NJP | 0.444444 | 0.871795 |
18 | 25A | 0.432432 | 0.893333 |
19 | 2AM | 0.42268 | 0.866667 |
20 | DG1 | 0.422222 | 0.85 |
21 | 1DG | 0.422222 | 0.85 |
22 | R7I | 0.422018 | 0.945946 |
23 | R5I | 0.422018 | 0.945946 |
24 | A2D | 0.401961 | 0.893333 |
25 | G1R | 0.401786 | 0.934211 |
26 | TAP | 0.40146 | 0.8375 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 1isi.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1isi.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1isi.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1isi.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |