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- Structure Biounit | Ligand Information
- 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 20 families. | |||||
1 | 1WNO | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
2 | 2A3C | Kd = 43 uM | PNX | C13 H18 N4 O3 | CC(=O)CCCC.... |
3 | 3G6M | Ki = 19.7 mM | CFF | C8 H10 N4 O2 | Cn1cnc2c1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 223 families. | |||||
1 | 5Y2B | - | NAG NAG NAG NAG NAG NAG NAG | n/a | n/a |
2 | 6JAW | Ki = 2.18 uM | BBO | C19 H20 N2 O3 | c1cc2cccc3.... |
3 | 6JAX | - | GCS GCS GCS GCS GCS GCS GCS GCS | n/a | n/a |
4 | 6JAV | Ki = 1.72 uM | BC0 | C20 H19 Cl N4 S2 | CN1Cc2c(c3.... |
5 | 6JAY | Ki = 1.99 uM | JUK | C22 H22 N5 O4 | c1cc(oc1)C.... |
6 | 1NWT | - | NAG NAG NAG NAG NDG NAG | n/a | n/a |
7 | 1NWU | - | NAG NAG NAG NDG | n/a | n/a |
8 | 1HJW | - | NAG NAG NAG NAG NAG | n/a | n/a |
9 | 3WQV | Kd = 6.2 uM | GCS GCS GCS GCS GCS | n/a | n/a |
10 | 3WQW | - | GCS GCS GCS GCS GCS | n/a | n/a |
11 | 1WNO | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
12 | 2A3C | Kd = 43 uM | PNX | C13 H18 N4 O3 | CC(=O)CCCC.... |
13 | 2A3A | ic50 = 1500 uM | TEP | C7 H8 N4 O2 | CN1c2c([nH.... |
14 | 1W9U | Kd = 0.81 uM | 0AR DPR HSE HIS UN1 | n/a | n/a |
15 | 6KXN | - | NAG NAG | n/a | n/a |
16 | 6KXL | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
17 | 6KXM | - | NAG NAG | n/a | n/a |
18 | 1ZB5 | - | TRP PRO TRP | n/a | n/a |
19 | 2DSU | - | NDG NAG NAG | n/a | n/a |
20 | 1ZBC | - | TRP PRO TRP | n/a | n/a |
21 | 2DT0 | - | NAG NAG NAG | n/a | n/a |
22 | 2DT1 | - | NAG NAG NAG NAG | n/a | n/a |
23 | 2DT3 | Kd = 18 uM | NAG NAG NAG NAG NAG NAG | n/a | n/a |
24 | 1WAW | ic50 = 0.013 uM | 0AR DPR HSE HIS UN1 | n/a | n/a |
25 | 1WB0 | ic50 = 4.5 uM | VR0 MEA IAS IAS DAL | n/a | n/a |
26 | 5Y2C | - | NAG NAG NAG NAG NAG | n/a | n/a |
27 | 4WKH | - | NAG NAG | n/a | n/a |
28 | 1HKK | ic50 = 40 nM | NAA AMI NAA | n/a | n/a |
29 | 4WK9 | - | NAG NAG | n/a | n/a |
30 | 5NRF | ic50 = 163 nM | 95Q | C22 H27 Cl N6 | c1ccc(cc1).... |
31 | 4WKF | - | NAG NAG | n/a | n/a |
32 | 6JK6 | Kd = 1.12 uM | BV0 | C24 H25 N6 O3 | CC1=CC=CN2.... |
33 | 6ZE8 | ic50 = 23 nM | QGB | C19 H27 Cl N6 O | C[C@H]1CN(.... |
34 | 5NR8 | ic50 = 175 nM | 95N | C16 H23 Br N6 | CN(CCc1ccc.... |
35 | 5NRA | ic50 = 123 nM | 95K | C19 H29 Br N6 | CC(C)CN(CC.... |
36 | 6JJR | Ki = 0.049 uM | BU0 | C27 H25 N5 O2 | C[C@@H](c1.... |
37 | 3RM8 | ic50 = 0.7 uM | RM8 | C19 H22 N4 | Cc1c(c2ccc.... |
38 | 2YBT | ic50 = 20 uM | DW0 | C17 H20 N8 O4 | Cn1cnc2c1C.... |
39 | 3RM4 | Kd = 1.69 uM | 3RM | C14 H19 Br N6 O | c1cc(ccc1O.... |
40 | 3RM9 | Kd = 17 uM | 613 | C11 H15 Cl N4 | [H]/N=C(N).... |
41 | 2YBU | Ki = 0.42 uM | CX9 | C16 H18 N8 O4 | Cn1cnc2c1C.... |
42 | 3RME | ic50 = 22 uM | RME | C17 H22 N6 O3 | Cc1ccnc(c1.... |
43 | 3FY1 | - | NAA AMI NA1 | n/a | n/a |
44 | 4P8V | Kd = 204 uM | NAG NAG | n/a | n/a |
45 | 4AY1 | - | NAG NAG NAG NAG | n/a | n/a |
46 | 4P8X | Kd = 0.04 uM | NAG NAG NAG NAG NAG NAG | n/a | n/a |
47 | 4R5E | Kd = 0.000000064 M | AO3 | C25 H42 N4 O14 | CC(=O)N[C@.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ALJ | 0.9210 |
2 | DBT | 0.9156 |
3 | R4E | 0.9043 |
4 | MOA | 0.9020 |
5 | JWW | 0.9013 |
6 | M1D | 0.9013 |
7 | FSU | 0.9012 |
8 | HAN | 0.8984 |
9 | QUB | 0.8960 |
10 | FIP | 0.8941 |
11 | 5V3 | 0.8939 |
12 | FNT | 0.8937 |
13 | QNM | 0.8933 |
14 | 0RU | 0.8927 |
15 | BBO | 0.8925 |
16 | 4JV | 0.8923 |
17 | UN9 | 0.8880 |
18 | GJW | 0.8878 |
19 | LP8 | 0.8862 |
20 | 1Q4 | 0.8859 |
21 | MN QAY | 0.8840 |
22 | Q5M | 0.8836 |
23 | BHB | 0.8835 |
24 | M0V | 0.8822 |
25 | 3QI | 0.8821 |
26 | L3L | 0.8813 |
27 | L07 | 0.8809 |
28 | D87 | 0.8804 |
29 | 6QT | 0.8803 |
30 | C09 | 0.8796 |
31 | APQ | 0.8796 |
32 | X0T | 0.8795 |
33 | KMP | 0.8795 |
34 | LLG | 0.8791 |
35 | IPL | 0.8785 |
36 | Z25 | 0.8785 |
37 | JXB | 0.8780 |
38 | QEI | 0.8778 |
39 | DL6 | 0.8771 |
40 | 6JO | 0.8771 |
41 | NAR | 0.8768 |
42 | 6XC | 0.8765 |
43 | B2E | 0.8762 |
44 | YE7 | 0.8743 |
45 | 9E3 | 0.8736 |
46 | 100 | 0.8720 |
47 | 5HG | 0.8718 |
48 | 5M2 | 0.8717 |
49 | 6BD | 0.8716 |
50 | F40 | 0.8716 |
51 | Q9G | 0.8714 |
52 | QUE | 0.8714 |
53 | Y17 | 0.8705 |
54 | ZEA | 0.8696 |
55 | 3WL | 0.8686 |
56 | UQ1 | 0.8677 |
57 | DXK | 0.8675 |
58 | 6BK | 0.8674 |
59 | 22T | 0.8671 |
60 | 2QU | 0.8663 |
61 | F5C | 0.8657 |
62 | ML1 | 0.8653 |
63 | 4YF | 0.8652 |
64 | 4L2 | 0.8649 |
65 | K74 | 0.8647 |
66 | CMG | 0.8644 |
67 | 5V7 | 0.8644 |
68 | 3D1 | 0.8633 |
69 | 340 | 0.8632 |
70 | FSE | 0.8627 |
71 | MG7 | 0.8623 |
72 | 0OK | 0.8619 |
73 | SNP | 0.8618 |
74 | 0HZ | 0.8616 |
75 | 5EZ | 0.8616 |
76 | 35K | 0.8608 |
77 | JTF | 0.8604 |
78 | 3IB | 0.8603 |
79 | 5PK | 0.8598 |
80 | JZR | 0.8598 |
81 | 52F | 0.8596 |
82 | 5NN | 0.8594 |
83 | HO4 | 0.8592 |
84 | RNP | 0.8587 |
85 | D5F | 0.8586 |
86 | M3W | 0.8582 |
87 | 2FA | 0.8580 |
88 | RDL | 0.8580 |
89 | 3WJ | 0.8579 |
90 | 57D | 0.8576 |
91 | DFL | 0.8576 |
92 | 1CE | 0.8575 |
93 | RKY | 0.8571 |
94 | 6JM | 0.8566 |
95 | VT3 | 0.8563 |
96 | IRH | 0.8557 |
97 | 5ER | 0.8550 |
98 | PMM | 0.8549 |
99 | 9KZ | 0.8547 |
100 | 7M5 | 0.8534 |
101 | M62 | 0.8533 |
102 | OUA | 0.8531 |
103 | CU8 | 0.8529 |
104 | ARJ | 0.8518 |
105 | 3JC | 0.8513 |