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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 41 families. | |||||
1 | 6XJ8 | Kd = 220 uM | 8YF | C12 H19 N3 O5 S | [H]/N=C/NC.... |
2 | 6MEY | Ki = 479 uM | O5E | C15 H14 N6 O | c1ccc(cc1).... |
3 | 6D15 | Ki = 32.9 uM | TWB | C12 H13 O5 P | Cc1cc2c(cc.... |
4 | 6D18 | Ki = 1.4 uM | GTV | C12 H13 O5 P | Cc1cc(c2c(.... |
5 | 6D17 | Ki = 15.3 uM | VKE | C11 H9 O7 P | c1c2c(cc3c.... |
6 | 6XD7 | - | ZZ7 | C16 H21 N3 O5 S | CC1([C@@H].... |
7 | 6V1J | - | QNA | C10 H9 B F O5 | [B-]1([C@@.... |
8 | 6M7I | Ki = 386 uM | J84 | C10 H7 Cl2 N7 | c1cc(c(cc1.... |
9 | 5UJ3 | - | CE4 | C14 H15 N5 O6 S2 | CO/N=C(/c1.... |
10 | 6D16 | Ki = 8.4 uM | FUJ | C11 H11 O6 P | COc1ccc2c(.... |
11 | 6D19 | Ki = 0.246 uM | YKG | C11 H10 Br O5 P | Cc1cc2c(c(.... |
12 | 6MLL | Ki = 239 uM | N1G | C17 H13 N7 O | c1ccc(cc1).... |
13 | 5UJ4 | - | SFR | C12 H17 N O6 S | C[C@H]([C@.... |
14 | 6MNP | - | 1CE | C12 H12 N6 O S | C1CCc2c(c3.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 23 families. | |||||
1 | 5EOE | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
2 | 5EOO | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
3 | 6XJ8 | Kd = 220 uM | 8YF | C12 H19 N3 O5 S | [H]/N=C/NC.... |
4 | 6MEY | Ki = 479 uM | O5E | C15 H14 N6 O | c1ccc(cc1).... |
5 | 6D15 | Ki = 32.9 uM | TWB | C12 H13 O5 P | Cc1cc2c(cc.... |
6 | 6D18 | Ki = 1.4 uM | GTV | C12 H13 O5 P | Cc1cc(c2c(.... |
7 | 6D17 | Ki = 15.3 uM | VKE | C11 H9 O7 P | c1c2c(cc3c.... |
8 | 6XD7 | - | ZZ7 | C16 H21 N3 O5 S | CC1([C@@H].... |
9 | 6V1J | - | QNA | C10 H9 B F O5 | [B-]1([C@@.... |
10 | 6M7I | Ki = 386 uM | J84 | C10 H7 Cl2 N7 | c1cc(c(cc1.... |
11 | 5UJ3 | - | CE4 | C14 H15 N5 O6 S2 | CO/N=C(/c1.... |
12 | 6D16 | Ki = 8.4 uM | FUJ | C11 H11 O6 P | COc1ccc2c(.... |
13 | 6D19 | Ki = 0.246 uM | YKG | C11 H10 Br O5 P | Cc1cc2c(c(.... |
14 | 6MLL | Ki = 239 uM | N1G | C17 H13 N7 O | c1ccc(cc1).... |
15 | 5UJ4 | - | SFR | C12 H17 N O6 S | C[C@H]([C@.... |
16 | 6MNP | - | 1CE | C12 H12 N6 O S | C1CCc2c(c3.... |
17 | 3BFF | - | FPM | C12 H15 N O5 S | C[C@H]([C@.... |
18 | 6B68 | - | 9F2 | C18 H18 N8 O7 S3 | CN1C(=NC(=.... |
19 | 6B6F | - | 9F2 | C18 H18 N8 O7 S3 | CN1C(=NC(=.... |
20 | 6B69 | - | 9F2 | C18 H18 N8 O7 S3 | CN1C(=NC(=.... |
21 | 6B6A | - | 9F2 | C18 H18 N8 O7 S3 | CN1C(=NC(=.... |
22 | 4QB8 | - | 1TE | C16 H21 N3 O4 S2 | C[C@@H]1[C.... |
23 | 6B6C | - | 9F2 | C18 H18 N8 O7 S3 | CN1C(=NC(=.... |
24 | 6B6D | - | 9F2 | C18 H18 N8 O7 S3 | CN1C(=NC(=.... |
25 | 3NY4 | - | SMX | C18 H18 N6 O5 S2 | Cn1c(nnn1).... |
26 | 6B6E | - | 9F2 | C18 H18 N8 O7 S3 | CN1C(=NC(=.... |
27 | 6CYU | - | CE4 | C14 H15 N5 O6 S2 | CO/N=C(/c1.... |
28 | 5TWE | - | CAZ | C17 H19 N5 O7 S2 | CC(C)(C(=O.... |
29 | 4XXR | - | JSC | C22 H17 N2 O6 Ru S | CC1([C@@H].... |
30 | 6MIA | - | 1CE | C12 H12 N6 O S | C1CCc2c(c3.... |
31 | 3G31 | Ki = 1.3 mM | GF1 | C12 H15 N O4 | C[C@@H](C(.... |
32 | 3G34 | Ki = 1.1 mM | 1CE | C12 H12 N6 O S | C1CCc2c(c3.... |
33 | 3HLW | - | CE3 | C16 H17 N5 O7 S2 | CC(=O)OCC1.... |
34 | 3G30 | Ki = 3.1 mM | G30 | C11 H9 F2 N O3 | c1cc(c(cc1.... |
35 | 6CYQ | - | CE4 | C14 H15 N5 O6 S2 | CO/N=C(/c1.... |
36 | 3HVF | - | PNK | C16 H20 N2 O5 S | CC1([C@@H].... |
37 | 3G32 | Ki = 0.194 mM | 3G3 | C11 H9 N5 O2 | c1ccc2c(c1.... |
38 | 3G2Z | Ki = 4.4 mM | GZ2 | C7 H9 N5 O | C1CC(=CC(=.... |
39 | 6BU3 | Ki = 0.28 uM | 3GK | C16 H10 F3 N7 O | c1cc(cc(c1.... |
40 | 3G35 | Ki = 0.021 mM | F13 | C14 H10 F N5 O | c1cc(cc(c1.... |
41 | 5FQJ | - | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
42 | 6TY6 | - | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
43 | 5FQK | Kd = 15.8 uM | 6NT | C6 H4 N4 O2 | c1cc2c(cc1.... |
44 | 5NE2 | Ki = 84 pM | DGL | C5 H9 N O4 | C(CC(=O)O).... |
45 | 6QW7 | - | DSN | C3 H7 N O3 | C([C@H](C(.... |
46 | 2ZD8 | - | MER | C17 H27 N3 O5 S | C[C@@H]1[C.... |
47 | 1VM1 | - | TAZ | C10 H12 N4 O5 S | C[C@@]1([C.... |
48 | 3MKE | - | CZ6 | C16 H25 B N4 O6 S | B1(O[C@H](.... |
49 | 4FH2 | - | 0RN | C8 H11 N O5 S | CC1([C@@H].... |
50 | 3SOI | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
51 | 2Y91 | - | 98J | C5 H8 O4 | C(CO)C(=O).... |
52 | 1PZP | Ki = 480 uM | FTA | C16 H13 N7 | c1ccc(cc1).... |
53 | 1PZO | Ki = 460 uM | CBT | C15 H13 Cl2 N5 | c1cc(ccc1C.... |
54 | 1NY0 | - | NBF | C14 H16 B N O4 | B(CNC(=O)c.... |
55 | 1NXY | - | SM2 | C14 H14 B N O5 S | B([C@H](c1.... |
56 | 3P98 | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
57 | 1W7F | - | ICT | C6 H8 O7 | C([C@@H]([.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | L8J | 0.9713 |
2 | KED | 0.9386 |
3 | F95 | 0.9369 |
4 | VKE | 0.9245 |
5 | T6Z | 0.9245 |
6 | M3Q | 0.9212 |
7 | QMS | 0.9158 |
8 | 790 | 0.9156 |
9 | I59 | 0.9105 |
10 | EY7 | 0.9101 |
11 | LZB | 0.9083 |
12 | 9LI | 0.9080 |
13 | H05 | 0.9072 |
14 | CX4 | 0.9068 |
15 | IBM | 0.9067 |
16 | CLI | 0.9040 |
17 | XM5 | 0.9034 |
18 | 8RK | 0.9020 |
19 | EV3 | 0.9009 |
20 | GSY | 0.9005 |
21 | JHY | 0.8965 |
22 | ALN | 0.8955 |
23 | PLP | 0.8943 |
24 | EYM | 0.8922 |
25 | NLA | 0.8919 |
26 | 9UG | 0.8915 |
27 | 96R | 0.8909 |
28 | CRZ | 0.8907 |
29 | JYT | 0.8905 |
30 | GO0 | 0.8903 |
31 | X04 | 0.8899 |
32 | EYA | 0.8892 |
33 | JYK | 0.8881 |
34 | MS0 | 0.8877 |
35 | JYW | 0.8875 |
36 | 7M2 | 0.8865 |
37 | 5OF | 0.8829 |
38 | 7FF | 0.8826 |
39 | 96U | 0.8821 |
40 | GNR | 0.8817 |
41 | KWQ | 0.8815 |
42 | NPL | 0.8809 |
43 | IBC | 0.8808 |
44 | TRF | 0.8801 |
45 | FXH | 0.8797 |
46 | IOS | 0.8796 |
47 | PMP | 0.8792 |
48 | AVR | 0.8791 |
49 | SG6 | 0.8789 |
50 | C8O | 0.8786 |
51 | 982 | 0.8780 |
52 | TXW | 0.8770 |
53 | 8Y7 | 0.8767 |
54 | LP8 | 0.8767 |
55 | AO6 | 0.8754 |
56 | 3N4 | 0.8752 |
57 | 2N0 | 0.8734 |
58 | B61 | 0.8728 |
59 | G1P | 0.8723 |
60 | 6DP | 0.8719 |
61 | 67X | 0.8718 |
62 | JXZ | 0.8710 |
63 | FWB | 0.8707 |
64 | KZ9 | 0.8706 |
65 | ST1 | 0.8705 |
66 | 96Z | 0.8705 |
67 | EXL | 0.8703 |
68 | KWH | 0.8696 |
69 | 8HG | 0.8695 |
70 | 7M6 | 0.8693 |
71 | SBK | 0.8692 |
72 | XFE | 0.8692 |
73 | CSN | 0.8692 |
74 | GP1 | 0.8690 |
75 | EGB | 0.8688 |
76 | 2J9 | 0.8688 |
77 | 5PX | 0.8663 |
78 | AKD | 0.8660 |
79 | TQU | 0.8656 |
80 | K68 | 0.8656 |
81 | OIA | 0.8654 |
82 | JXW | 0.8648 |
83 | MAG | 0.8647 |
84 | 8GK | 0.8644 |
85 | LOG | 0.8640 |
86 | IOP | 0.8637 |
87 | AJD | 0.8637 |
88 | 2LB | 0.8633 |
89 | E7R | 0.8625 |
90 | 5WU | 0.8622 |
91 | A0O | 0.8615 |
92 | 2J2 | 0.8614 |
93 | TRP | 0.8614 |
94 | JUO | 0.8614 |
95 | Q9P | 0.8614 |
96 | IAC | 0.8609 |
97 | HHT | 0.8606 |
98 | ZON | 0.8606 |
99 | 8DA | 0.8604 |
100 | GNT | 0.8602 |
101 | GO1 | 0.8595 |
102 | 39Z | 0.8594 |
103 | MP5 | 0.8592 |
104 | 0Q2 | 0.8585 |
105 | 7Z9 | 0.8584 |
106 | W22 | 0.8583 |
107 | XG1 | 0.8581 |
108 | K66 | 0.8558 |
109 | S0I | 0.8550 |
110 | 3E2 | 0.8549 |
111 | MUR | 0.8543 |
112 | L21 | 0.8538 |
113 | DTR | 0.8530 |
114 | W8G | 0.8516 |
115 | 54X | 0.8502 |
This union binding pocket(no: 1) in the query (biounit: 6d19.bio1) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6d19.bio1) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 6d19.bio1) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |