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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 2 families. | |||||
1 | 1LJT | ic50 = 7 uM | HDI | C12 H13 N O4 | COC(=O)C[C.... |
2 | 3L5R | ic50 = 38 nM | 47X | C15 H10 O5 | c1cc(c(cc1.... |
3 | 5J7Q | Ki = 26.6 uM | 6H2 | C13 H10 N2 O2 | c1ccn2cc(n.... |
4 | 5HVT | Kd = 0.055 uM | NVS | C15 H13 N O4 | COc1ccc(cc.... |
5 | 5B4O | - | 6DQ | C13 H8 N2 O S | c1ccc2c(c1.... |
6 | 1GCZ | Ki = 7.4 uM | YZ9 | C12 H10 O5 | CCOC(=O)C1.... |
7 | 3L5P | - | 428 | C9 H11 N3 O | CC(C)c1cn2.... |
8 | 5HVS | Kd = 0.071 uM | 65V | C24 H15 F N4 O4 | c1cc(cc(c1.... |
9 | 6B1C | Kd = 0.111 uM | C9J | C17 H12 F N5 O2 | CN1C=Cc2cc.... |
10 | 3L5T | - | 956 | C20 H18 N4 O2 S | CN1c2ccccc.... |
11 | 3IJJ | - | EN1 | C9 H8 O4 | c1cc(ccc1/.... |
12 | 6CBG | Ki = 113 uM | EWG | C10 H8 N2 O2 | c1cc(cc(c1.... |
13 | 4K9G | - | 1Q1 | C12 H12 F N O3 | CC(=O)C[C@.... |
14 | 3IJG | Kd = 54 uM | AVR | C13 H17 N3 O | C[C@H](C(=.... |
15 | 4WRB | Ki = 0.65 uM | 3TW | C20 H18 N4 O3 | COCCOc1ccc.... |
16 | 1CA7 | - | ENO | C9 H8 O4 | c1cc(ccc1C.... |
17 | 2OOH | ic50 = 1.3 uM | OX3 | C14 H17 N O3 | c1cc(ccc1C.... |
18 | 2OOZ | ic50 = 7 uM | OX5 | C13 H17 N O3 | CC(C)(C)CC.... |
19 | 3DJI | - | 3E1 | C16 H16 N2 O4 | CC(=O)Nc1c.... |
20 | 6CBF | Ki = 6.8 uM | EWD | C16 H12 N2 O3 | c1ccc(cc1).... |
21 | 3L5U | - | ZEC | C7 H6 N2 O3 S2 | c1cc2c(cc1.... |
22 | 6CB5 | Ki = 4.3 uM | EV7 | C20 H14 N2 O3 | c1ccc2cc(c.... |
23 | 6B1K | Kd = 0.213 uM | C9G | C17 H13 N5 O2 | CN1C=Cc2cc.... |
24 | 3L5S | - | 88X | C15 H13 N3 O2 | CCC1=CC(=O.... |
25 | 6CBH | Ki = 0.51 uM | EWJ | C20 H13 F N2 O3 | c1ccc2cc(c.... |
26 | 3U18 | ic50 = 0.81 uM | Y0X | C34 H28 N6 O16 S4 | COc1c(ccc(.... |
27 | 6B2C | Kd = 0.094 uM | C9Y | C18 H12 F N5 O4 | c1cc(c(cc1.... |
28 | 1MFI | Ki = 2.6 uM | FHC | C9 H6 F O3 | c1cc(ccc1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1LJT | ic50 = 7 uM | HDI | C12 H13 N O4 | COC(=O)C[C.... |
2 | 3L5R | ic50 = 38 nM | 47X | C15 H10 O5 | c1cc(c(cc1.... |
3 | 5J7Q | Ki = 26.6 uM | 6H2 | C13 H10 N2 O2 | c1ccn2cc(n.... |
4 | 5HVT | Kd = 0.055 uM | NVS | C15 H13 N O4 | COc1ccc(cc.... |
5 | 5B4O | - | 6DQ | C13 H8 N2 O S | c1ccc2c(c1.... |
6 | 1GCZ | Ki = 7.4 uM | YZ9 | C12 H10 O5 | CCOC(=O)C1.... |
7 | 3L5P | - | 428 | C9 H11 N3 O | CC(C)c1cn2.... |
8 | 5HVS | Kd = 0.071 uM | 65V | C24 H15 F N4 O4 | c1cc(cc(c1.... |
9 | 6B1C | Kd = 0.111 uM | C9J | C17 H12 F N5 O2 | CN1C=Cc2cc.... |
10 | 3L5T | - | 956 | C20 H18 N4 O2 S | CN1c2ccccc.... |
11 | 3IJJ | - | EN1 | C9 H8 O4 | c1cc(ccc1/.... |
12 | 6CBG | Ki = 113 uM | EWG | C10 H8 N2 O2 | c1cc(cc(c1.... |
13 | 4K9G | - | 1Q1 | C12 H12 F N O3 | CC(=O)C[C@.... |
14 | 3IJG | Kd = 54 uM | AVR | C13 H17 N3 O | C[C@H](C(=.... |
15 | 4WRB | Ki = 0.65 uM | 3TW | C20 H18 N4 O3 | COCCOc1ccc.... |
16 | 1CA7 | - | ENO | C9 H8 O4 | c1cc(ccc1C.... |
17 | 2OOH | ic50 = 1.3 uM | OX3 | C14 H17 N O3 | c1cc(ccc1C.... |
18 | 2OOZ | ic50 = 7 uM | OX5 | C13 H17 N O3 | CC(C)(C)CC.... |
19 | 3DJI | - | 3E1 | C16 H16 N2 O4 | CC(=O)Nc1c.... |
20 | 6CBF | Ki = 6.8 uM | EWD | C16 H12 N2 O3 | c1ccc(cc1).... |
21 | 3L5U | - | ZEC | C7 H6 N2 O3 S2 | c1cc2c(cc1.... |
22 | 6CB5 | Ki = 4.3 uM | EV7 | C20 H14 N2 O3 | c1ccc2cc(c.... |
23 | 6B1K | Kd = 0.213 uM | C9G | C17 H13 N5 O2 | CN1C=Cc2cc.... |
24 | 3L5S | - | 88X | C15 H13 N3 O2 | CCC1=CC(=O.... |
25 | 6CBH | Ki = 0.51 uM | EWJ | C20 H13 F N2 O3 | c1ccc2cc(c.... |
26 | 3U18 | ic50 = 0.81 uM | Y0X | C34 H28 N6 O16 S4 | COc1c(ccc(.... |
27 | 6B2C | Kd = 0.094 uM | C9Y | C18 H12 F N5 O4 | c1cc(c(cc1.... |
28 | 4Q3F | - | TLA | C4 H6 O6 | [C@@H]([C@.... |
29 | 6C5F | Ki = 33 uM | 7L9 | C14 H9 N O6 | c1cc(cc(c1.... |
30 | 3RF5 | Ki = 2.37 uM | FUZ | C12 H11 N O3 | c1ccc(c(c1.... |
31 | 3RF4 | Ki = 0.56 uM | FUN | C12 H11 Cl N2 O5 S | c1cc(oc1)C.... |
32 | 1MFI | Ki = 2.6 uM | FHC | C9 H6 F O3 | c1cc(ccc1C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | AVR | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GO1 | 0.9247 |
2 | 3E2 | 0.9189 |
3 | QQQ | 0.9183 |
4 | GO0 | 0.9182 |
5 | EY7 | 0.9165 |
6 | 982 | 0.9130 |
7 | H05 | 0.9110 |
8 | TWB | 0.9088 |
9 | F95 | 0.9087 |
10 | QVK | 0.9073 |
11 | FXH | 0.9069 |
12 | 5VJ | 0.9065 |
13 | 3N4 | 0.9047 |
14 | 4NO | 0.9013 |
15 | 9UG | 0.9000 |
16 | VKE | 0.8984 |
17 | P9T | 0.8965 |
18 | 091 | 0.8946 |
19 | M5N | 0.8929 |
20 | XQK | 0.8921 |
21 | KED | 0.8918 |
22 | YKG | 0.8892 |
23 | 8GK | 0.8891 |
24 | JXW | 0.8880 |
25 | FUJ | 0.8867 |
26 | 67X | 0.8859 |
27 | OIA | 0.8847 |
28 | DX1 | 0.8843 |
29 | GHM | 0.8841 |
30 | QAT | 0.8838 |
31 | EYA | 0.8836 |
32 | 9AP | 0.8834 |
33 | 7FF | 0.8832 |
34 | GT0 | 0.8816 |
35 | FBG | 0.8816 |
36 | Q71 | 0.8812 |
37 | JXZ | 0.8812 |
38 | WUB | 0.8802 |
39 | LDR | 0.8801 |
40 | MHK | 0.8795 |
41 | GTV | 0.8791 |
42 | M3Q | 0.8791 |
43 | 2D3 | 0.8786 |
44 | CSN | 0.8776 |
45 | SG6 | 0.8774 |
46 | MRX | 0.8767 |
47 | EV3 | 0.8766 |
48 | GSY | 0.8763 |
49 | JXK | 0.8755 |
50 | GZ8 | 0.8751 |
51 | I59 | 0.8740 |
52 | BN1 | 0.8739 |
53 | JYT | 0.8737 |
54 | JR2 | 0.8737 |
55 | 5M8 | 0.8734 |
56 | GM7 | 0.8729 |
57 | 5NS | 0.8728 |
58 | KWQ | 0.8719 |
59 | 9LI | 0.8714 |
60 | R8Y | 0.8712 |
61 | JYW | 0.8709 |
62 | JAK | 0.8706 |
63 | XM5 | 0.8702 |
64 | A0O | 0.8701 |
65 | SXS | 0.8695 |
66 | LZ2 | 0.8687 |
67 | ST4 | 0.8685 |
68 | 4AV | 0.8681 |
69 | X0W | 0.8674 |
70 | SRO | 0.8671 |
71 | MOK | 0.8669 |
72 | 0W8 | 0.8669 |
73 | 7CT | 0.8663 |
74 | JYB | 0.8662 |
75 | L8J | 0.8661 |
76 | GJS | 0.8660 |
77 | QAS | 0.8660 |
78 | YQA | 0.8659 |
79 | 1Z8 | 0.8659 |
80 | GC2 | 0.8659 |
81 | T6Z | 0.8658 |
82 | 790 | 0.8651 |
83 | 6R8 | 0.8649 |
84 | EYM | 0.8641 |
85 | TXW | 0.8635 |
86 | TWO | 0.8629 |
87 | 89J | 0.8625 |
88 | TSR | 0.8623 |
89 | 582 | 0.8618 |
90 | 7I2 | 0.8616 |
91 | 2LY | 0.8591 |
92 | GNJ | 0.8586 |
93 | KWH | 0.8577 |
94 | B5D | 0.8569 |
95 | 7ZC | 0.8562 |
96 | 2J2 | 0.8551 |
This union binding pocket(no: 1) in the query (biounit: 3l5r.bio1) has 79 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |