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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 12 families. | |||||
1 | 1Q7B | Kd = 3.5 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
2 | 1Q7C | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
3 | 4BNT | ic50 = 137.69 uM | 36E | C8 H5 F3 N2 | c1ccc2c(c1.... |
4 | 4BNY | ic50 = 0.08 uM | 36I | C16 H15 N3 O S | c1ccc(cc1).... |
5 | 4BNV | ic50 = 0.03 uM | Q7U | C15 H13 Cl N4 O | Cn1c2ccccc.... |
6 | 4BO1 | ic50 = 0.05 uM | NKH | C18 H15 Cl N2 O3 | COc1cc(c(c.... |
7 | 4BO0 | ic50 = 0.2 uM | FXE | C17 H18 N4 O3 | Cn1c2cccc(.... |
8 | 4AG3 | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
9 | 4BO2 | ic50 = 0.05 uM | 36K | C17 H18 N4 O2 | CCn1c2cccc.... |
10 | 4BNX | ic50 = 0.02 uM | O74 | C20 H14 Cl N3 O | c1ccc2c(c1.... |
11 | 4BNU | ic50 = 0.02 uM | 9KQ | C16 H11 N5 | c1ccc(cc1).... |
12 | 4BO3 | ic50 = 0.3 uM | U98 | C12 H10 F3 N3 O2 S | c1cc(cc(c1.... |
13 | 4BNZ | ic50 = 0.26 uM | 8M5 | C16 H14 N2 O | Cn1cc(c2c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 1E6W | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
2 | 1E3S | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
3 | 3A28 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
4 | 3SJU | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
5 | 2RHR | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
6 | 3RI3 | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
7 | 2RHC | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
8 | 1Q7B | Kd = 3.5 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
9 | 1Q7C | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
10 | 1GEG | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
11 | 4N5N | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
12 | 4QEC | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
13 | 4QED | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
14 | 3AY6 | - | NAI | C21 H29 N7 O14 P2 | c1nc(c2c(n.... |
15 | 3AUU | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
16 | 3AUT | - | NAI | C21 H29 N7 O14 P2 | c1nc(c2c(n.... |
17 | 4BO0 | ic50 = 0.2 uM | FXE | C17 H18 N4 O3 | Cn1c2cccc(.... |
18 | 4AG3 | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
19 | 4BO2 | ic50 = 0.05 uM | 36K | C17 H18 N4 O2 | CCn1c2cccc.... |
20 | 4BNX | ic50 = 0.02 uM | O74 | C20 H14 Cl N3 O | c1ccc2c(c1.... |
21 | 4BNU | ic50 = 0.02 uM | 9KQ | C16 H11 N5 | c1ccc(cc1).... |
22 | 4BO3 | ic50 = 0.3 uM | U98 | C12 H10 F3 N3 O2 S | c1cc(cc(c1.... |
23 | 4BNZ | ic50 = 0.26 uM | 8M5 | C16 H14 N2 O | Cn1cc(c2c1.... |
24 | 4NBT | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
25 | 1IPF | - | TNE | C8 H13 N O | CN1[C@H]2C.... |
26 | 5OVK | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
27 | 1NFQ | - | AOI | C19 H30 O2 | C[C@]12CC[.... |
28 | 6CI9 | - | F3V | C3 H7 N O | CC(=O)CN |
29 | 2ZTU | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
30 | 2ZTM | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
31 | 1X1T | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
32 | 5O72 | Ki = 23 nM | 9MH | C18 H14 F N3 O3 | c1cc(cc2c1.... |
33 | 5HS6 | - | J3Z | C18 H22 O2 | C[C@]12CC[.... |
34 | 5L7W | Ki = 11 nM | 6QU | C18 H11 F2 N O4 | c1cc(c(c(c.... |
35 | 5O6O | Ki = 58 nM | 9MB | C17 H11 F2 N O3 | c1cc(c(c(c.... |
36 | 5ICM | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
37 | 5O7C | Ki = 9 nM | 9N2 | C17 H9 F N2 O2 | c1cc(cc2c1.... |
38 | 5JS6 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
39 | 5JSF | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
40 | 4JP3 | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
41 | 4NBW | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
42 | 2Q2Q | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
43 | 3NUG | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
44 | 1DOH | Ki = 2.4 nM | NID | C9 H5 N O3 | c1cc2c(c(c.... |
45 | 4ITU | - | 1HS | C5 H12 O4 S2 | C[C@@H](CS.... |
46 | 6TQ5 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
47 | 4RF2 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
48 | 1GCO | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
49 | 1G6K | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
50 | 1GEE | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
51 | 5EPO | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
52 | 4URE | - | 1PS | C8 H11 N O3 S | c1cc[n+](c.... |
53 | 4URF | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
54 | 5T2U | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
55 | 4NBU | - | CAA | C25 H40 N7 O18 P3 S | CC(=O)CC(=.... |
56 | 4KWI | - | 1TJ | C19 H12 O5 | Cc1cc2c(c(.... |
57 | 4OSO | - | 2V4 | C19 H14 O6 | C[C@]1(Cc2.... |
58 | 5OJG | - | BUO | C4 H6 O2 | CC(=O)C(=O.... |
59 | 5OJI | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
60 | 4FN4 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
61 | 6XEW | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
62 | 6VSP | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
63 | 5WUW | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
64 | 2EWM | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
65 | 2B4Q | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
66 | 6F9Q | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
67 | 3AI3 | - | SOL | C6 H12 O6 | C([C@@H]([.... |
68 | 3AI2 | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
69 | 1IY8 | Ki = 23.8 mM | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
70 | 4CR6 | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
71 | 4CR7 | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
72 | 5ITV | - | NAI | C21 H29 N7 O14 P2 | c1nc(c2c(n.... |
73 | 4ZA2 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
74 | 5B4V | - | DXX | C4 H6 O4 | CC(C(=O)O).... |
75 | 5B4U | - | MLA | C3 H4 O4 | C(C(=O)O)C.... |
76 | 1FMC | - | NAI | C21 H29 N7 O14 P2 | c1nc(c2c(n.... |
77 | 1AHH | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
78 | 5FF9 | ic50 = 5230 uM | AEF | C8 H11 N O | c1cc(ccc1C.... |
79 | 5FFF | ic50 = 425 uM | 5XC | C8 H6 O3 | c1cc2c(cc1.... |
80 | 6JHA | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
81 | 6JHB | - | ENO | C9 H8 O4 | c1cc(ccc1C.... |
82 | 3U4C | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
83 | 5THQ | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
84 | 1AE1 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
85 | 1PR9 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
86 | 1WNT | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
87 | 2BGM | - | NAJ | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
88 | 2GDZ | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
89 | 6IXM | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
90 | 6Y4D | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
91 | 1HDC | Ki = 1 uM | CBO | C34 H50 O7 | CC1([C@@H].... |
92 | 3QWI | ic50 = 2.8 uM | CUE | C15 H8 O5 | c1cc2c(cc1.... |
93 | 3AFN | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
94 | 6J7U | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | O74 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 855 | 0.9378 |
2 | 3NG | 0.9160 |
3 | 25Q | 0.9122 |
4 | 07U | 0.9095 |
5 | 9KQ | 0.9092 |
6 | 36I | 0.9054 |
7 | 5F3 | 0.9030 |
8 | E1B | 0.8995 |
9 | VAR | 0.8972 |
10 | RC0 | 0.8965 |
11 | QIG | 0.8891 |
12 | D0A | 0.8876 |
13 | Q17 | 0.8828 |
14 | L0F | 0.8816 |
15 | MKQ | 0.8807 |
16 | 66P | 0.8790 |
17 | BHF | 0.8769 |
18 | 4E2 | 0.8750 |
19 | SC9 | 0.8749 |
20 | HXP | 0.8734 |
21 | 74U | 0.8734 |
22 | 2A6 | 0.8727 |
23 | 7KF | 0.8725 |
24 | IAA | 0.8720 |
25 | GDW | 0.8712 |
26 | IRG | 0.8692 |
27 | RBF | 0.8690 |
28 | LBD | 0.8683 |
29 | DYU | 0.8678 |
30 | XYS XYS AHR | 0.8675 |
31 | P19 | 0.8670 |
32 | FRZ | 0.8662 |
33 | 4E3 | 0.8628 |
34 | LCS | 0.8618 |
35 | 7GG | 0.8607 |
36 | CK6 | 0.8605 |
37 | 1VM | 0.8591 |
38 | 9NX | 0.8589 |
39 | 9GH | 0.8586 |
40 | CQU | 0.8573 |
41 | 4UB | 0.8542 |
42 | HM5 | 0.8538 |
This union binding pocket(no: 1) in the query (biounit: 4bnu.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5Z84 | CHD | 19.1781 |
This union binding pocket(no: 2) in the query (biounit: 4bnu.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5Z84 | CHD | 19.1781 |