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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 3 families. | |||||
1 | 1ENU | Ki = 8.3 uM | APZ | C8 H7 N3 O2 | c1cc2c(cc1.... |
2 | 2PWU | - | GUN | C5 H5 N5 O | c1[nH]c2c(.... |
3 | 4Q4S | Kd = 111.6 nM | S98 | C14 H12 N6 O S | c1cc(sc1)C.... |
4 | 2QII | - | PQ0 | C7 H5 N5 O | c1c(c2c([n.... |
5 | 1PXG | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
6 | 4KWO | Ki = 353 nM | 1UD | C18 H24 N6 O5 | CNc1[nH]c2.... |
7 | 2Z7K | Ki = 77 nM | BGU | C9 H8 N6 O | c1c2c(cc3c.... |
8 | 3SM0 | Ki = 740 nM | AEK | C18 H24 N6 O | CNc1[nH]c2.... |
9 | 6RKQ | Ki = 48 uM | K75 | C13 H14 N6 | CC#C[C@@H].... |
10 | 4Q4P | Kd = 407.4 nM | 2YO | C16 H20 N6 O | c1c2c(cc3c.... |
11 | 1K4H | Ki = 7.7 uM | APQ | C12 H16 N4 O S | CCCSCc1cc(.... |
12 | 1EFZ | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
13 | 3C2Y | Ki = 1.5 uM | S60 | C10 H9 N5 O | Cc1[nH]c2c.... |
14 | 1Y5X | Ki = 3.7 uM | E89 | C18 H17 N5 O2 | COc1ccc(cc.... |
15 | 1R5Y | Ki = 0.35 uM | DQU | C8 H8 N4 O | c1cc2c(cc1.... |
16 | 3RR4 | Ki = 28050 nM | HRD | C11 H12 N6 O | CNc1[nH]c2.... |
17 | 3EOU | Ki = 97 nM | PK3 | C12 H14 N6 O2 | CNc1[nH]c2.... |
18 | 6FMN | Kd = 1120 nM | E4E | C15 H18 N6 O5 | CO[C@H]1[C.... |
19 | 4Q4Q | Kd = 1638.9 nM | SAQ | C14 H11 N5 O S | c1cc(sc1)C.... |
20 | 4E2V | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
21 | 2Z1X | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
22 | 5JXQ | Ki = 7 nM | 6OK | C19 H20 N6 O2 | c1cc(ccc1C.... |
23 | 1Q66 | Ki = 1.7 uM | KMB | C16 H16 N4 O S | c1ccc(cc1).... |
24 | 1N2V | Ki = 83 uM | BDI | C9 H12 N4 O2 | CCCCc1[nH].... |
25 | 1Y5W | Ki = 6.9 uM | NEZ | C18 H17 N5 O | Cc1ccc(cc1.... |
26 | 1Q63 | Ki = 1.4 uM | AIQ | C12 H12 N6 O S | c1cnc([nH].... |
27 | 4PUL | Kd = 146.1 nM | 2WU | C10 H10 N6 O | CNc1[nH]c2.... |
28 | 3GC4 | Ki = 25 nM | AAQ | C19 H21 N7 O | CNc1[nH]c2.... |
29 | 4LBU | Kd = 276 nM | 1WJ | C18 H24 N6 O5 | CNc1[nH]c2.... |
30 | 6RKT | Ki = 17 uM | K7H | C10 H12 N6 | CNc1[nH]c2.... |
31 | 2Z1W | - | BDI | C9 H12 N4 O2 | CCCCc1[nH].... |
32 | 1K4G | Ki = 1.4 uM | AIQ | C12 H12 N6 O S | c1cnc([nH].... |
33 | 1P0E | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
34 | 4LEQ | Kd = 288 nM | 1WK | C17 H22 N6 O5 | CNc1[nH]c2.... |
35 | 1P0B | - | PQ0 | C7 H5 N5 O | c1c(c2c([n.... |
36 | 2POT | - | GUN | C5 H5 N5 O | c1[nH]c2c(.... |
37 | 2QZR | Ki = 55 nM | S79 | C20 H16 N6 O | c1ccc2c(c1.... |
38 | 4Q4O | Kd = 34.3 nM | 2YM | C16 H21 N7 O | c1c2c(cc3c.... |
39 | 3S1G | Ki = 6500 nM | ITE | C10 H9 N5 O | CNc1[nH]c2.... |
40 | 4PUM | Kd = 188.1 nM | 2WU | C10 H10 N6 O | CNc1[nH]c2.... |
41 | 1S38 | Ki = 7 uM | MAQ | C9 H9 N3 O | Cc1cccc2c1.... |
42 | 1Q65 | Ki = 3.5 uM | BHB | C13 H19 N5 O S | CN(C)CCSCc.... |
43 | 3EOS | Ki = 4 nM | PK2 | C19 H27 N7 O | CNc1[nH]c2.... |
44 | 1F3E | Ki = 0.2 uM | DPZ | C8 H8 N4 O2 | c1c(cc(c2c.... |
45 | 1Y5V | Ki = 1 uM | NE8 | C17 H15 N5 O | c1ccc(cc1).... |
46 | 1OZQ | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
47 | 4PUJ | Kd = 35 nM | CKR | C15 H19 N7 O2 | c1c2c(cc3c.... |
48 | 2BBF | Ki = 7.9 uM | 344 | C9 H7 N5 O | c1c2c(cc3c.... |
49 | 6FPU | Kd = 321 nM | E48 | C21 H26 N6 O6 | CC1(O[C@@H.... |
50 | 1S39 | Ki = 20 nM | AQO | C8 H7 N3 O | c1ccc2c(c1.... |
51 | 3TLL | Ki = 40830 nM | 62D | C12 H14 N6 O | CCNC1=Nc2c.... |
52 | 4PUK | Kd = 52.4 nM | 2WU | C10 H10 N6 O | CNc1[nH]c2.... |
53 | 2PWV | - | PQ0 | C7 H5 N5 O | c1c(c2c([n.... |
54 | 3GC5 | Ki = 55 nM | 2MQ | C12 H15 N7 O | CNc1[nH]c2.... |
55 | 3GE7 | Ki = 2 nM | AFQ | C18 H25 N7 O | CNc1[nH]c2.... |
56 | 4Q4R | Kd = 369.2 nM | SQO | C15 H18 N6 O2 | c1c2c(cc3c.... |
57 | 1Q4W | Ki = 0.35 uM | DQU | C8 H8 N4 O | c1cc2c(cc1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1ENU | Ki = 8.3 uM | APZ | C8 H7 N3 O2 | c1cc2c(cc1.... |
2 | 2PWU | - | GUN | C5 H5 N5 O | c1[nH]c2c(.... |
3 | 4Q4S | Kd = 111.6 nM | S98 | C14 H12 N6 O S | c1cc(sc1)C.... |
4 | 2QII | - | PQ0 | C7 H5 N5 O | c1c(c2c([n.... |
5 | 1PXG | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
6 | 4KWO | Ki = 353 nM | 1UD | C18 H24 N6 O5 | CNc1[nH]c2.... |
7 | 2Z7K | Ki = 77 nM | BGU | C9 H8 N6 O | c1c2c(cc3c.... |
8 | 3SM0 | Ki = 740 nM | AEK | C18 H24 N6 O | CNc1[nH]c2.... |
9 | 6RKQ | Ki = 48 uM | K75 | C13 H14 N6 | CC#C[C@@H].... |
10 | 4Q4P | Kd = 407.4 nM | 2YO | C16 H20 N6 O | c1c2c(cc3c.... |
11 | 1K4H | Ki = 7.7 uM | APQ | C12 H16 N4 O S | CCCSCc1cc(.... |
12 | 1EFZ | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
13 | 3C2Y | Ki = 1.5 uM | S60 | C10 H9 N5 O | Cc1[nH]c2c.... |
14 | 1Y5X | Ki = 3.7 uM | E89 | C18 H17 N5 O2 | COc1ccc(cc.... |
15 | 1R5Y | Ki = 0.35 uM | DQU | C8 H8 N4 O | c1cc2c(cc1.... |
16 | 3RR4 | Ki = 28050 nM | HRD | C11 H12 N6 O | CNc1[nH]c2.... |
17 | 3EOU | Ki = 97 nM | PK3 | C12 H14 N6 O2 | CNc1[nH]c2.... |
18 | 6FMN | Kd = 1120 nM | E4E | C15 H18 N6 O5 | CO[C@H]1[C.... |
19 | 4Q4Q | Kd = 1638.9 nM | SAQ | C14 H11 N5 O S | c1cc(sc1)C.... |
20 | 4E2V | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
21 | 2Z1X | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
22 | 5JXQ | Ki = 7 nM | 6OK | C19 H20 N6 O2 | c1cc(ccc1C.... |
23 | 1Q66 | Ki = 1.7 uM | KMB | C16 H16 N4 O S | c1ccc(cc1).... |
24 | 1N2V | Ki = 83 uM | BDI | C9 H12 N4 O2 | CCCCc1[nH].... |
25 | 1Y5W | Ki = 6.9 uM | NEZ | C18 H17 N5 O | Cc1ccc(cc1.... |
26 | 1Q63 | Ki = 1.4 uM | AIQ | C12 H12 N6 O S | c1cnc([nH].... |
27 | 4PUL | Kd = 146.1 nM | 2WU | C10 H10 N6 O | CNc1[nH]c2.... |
28 | 3GC4 | Ki = 25 nM | AAQ | C19 H21 N7 O | CNc1[nH]c2.... |
29 | 4LBU | Kd = 276 nM | 1WJ | C18 H24 N6 O5 | CNc1[nH]c2.... |
30 | 6RKT | Ki = 17 uM | K7H | C10 H12 N6 | CNc1[nH]c2.... |
31 | 2Z1W | - | BDI | C9 H12 N4 O2 | CCCCc1[nH].... |
32 | 1K4G | Ki = 1.4 uM | AIQ | C12 H12 N6 O S | c1cnc([nH].... |
33 | 1P0E | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
34 | 4LEQ | Kd = 288 nM | 1WK | C17 H22 N6 O5 | CNc1[nH]c2.... |
35 | 1P0B | - | PQ0 | C7 H5 N5 O | c1c(c2c([n.... |
36 | 2POT | - | GUN | C5 H5 N5 O | c1[nH]c2c(.... |
37 | 2QZR | Ki = 55 nM | S79 | C20 H16 N6 O | c1ccc2c(c1.... |
38 | 4Q4O | Kd = 34.3 nM | 2YM | C16 H21 N7 O | c1c2c(cc3c.... |
39 | 3S1G | Ki = 6500 nM | ITE | C10 H9 N5 O | CNc1[nH]c2.... |
40 | 4PUM | Kd = 188.1 nM | 2WU | C10 H10 N6 O | CNc1[nH]c2.... |
41 | 1S38 | Ki = 7 uM | MAQ | C9 H9 N3 O | Cc1cccc2c1.... |
42 | 1Q65 | Ki = 3.5 uM | BHB | C13 H19 N5 O S | CN(C)CCSCc.... |
43 | 3EOS | Ki = 4 nM | PK2 | C19 H27 N7 O | CNc1[nH]c2.... |
44 | 1F3E | Ki = 0.2 uM | DPZ | C8 H8 N4 O2 | c1c(cc(c2c.... |
45 | 1Y5V | Ki = 1 uM | NE8 | C17 H15 N5 O | c1ccc(cc1).... |
46 | 1OZQ | - | PRF | C7 H9 N5 O | c1c(c2c([n.... |
47 | 4PUJ | Kd = 35 nM | CKR | C15 H19 N7 O2 | c1c2c(cc3c.... |
48 | 2BBF | Ki = 7.9 uM | 344 | C9 H7 N5 O | c1c2c(cc3c.... |
49 | 6FPU | Kd = 321 nM | E48 | C21 H26 N6 O6 | CC1(O[C@@H.... |
50 | 1S39 | Ki = 20 nM | AQO | C8 H7 N3 O | c1ccc2c(c1.... |
51 | 3TLL | Ki = 40830 nM | 62D | C12 H14 N6 O | CCNC1=Nc2c.... |
52 | 4PUK | Kd = 52.4 nM | 2WU | C10 H10 N6 O | CNc1[nH]c2.... |
53 | 2PWV | - | PQ0 | C7 H5 N5 O | c1c(c2c([n.... |
54 | 3GC5 | Ki = 55 nM | 2MQ | C12 H15 N7 O | CNc1[nH]c2.... |
55 | 3GE7 | Ki = 2 nM | AFQ | C18 H25 N7 O | CNc1[nH]c2.... |
56 | 4Q4R | Kd = 369.2 nM | SQO | C15 H18 N6 O2 | c1c2c(cc3c.... |
57 | 1Q4W | Ki = 0.35 uM | DQU | C8 H8 N4 O | c1cc2c(cc1.... |
58 | 6H42 | - | GGL | C5 H9 N O4 | C(CC(=O)O).... |
59 | 6H45 | - | QEI | C12 H15 N5 O3 | c1c(c2c([n.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | E9L | 0.9122 |
2 | M3W | 0.9112 |
3 | BJ4 | 0.9110 |
4 | 22T | 0.9055 |
5 | 3WL | 0.9043 |
6 | SGW | 0.9021 |
7 | CMG | 0.9005 |
8 | DLZ | 0.8980 |
9 | RDL | 0.8977 |
10 | KMP | 0.8968 |
11 | BUX | 0.8965 |
12 | AEY | 0.8942 |
13 | ML1 | 0.8931 |
14 | NW1 | 0.8924 |
15 | LQG | 0.8913 |
16 | VT3 | 0.8898 |
17 | JTF | 0.8892 |
18 | DQH | 0.8887 |
19 | QUE | 0.8877 |
20 | 3TI | 0.8872 |
21 | ML2 | 0.8870 |
22 | DTQ | 0.8852 |
23 | 0H5 | 0.8849 |
24 | H2W | 0.8848 |
25 | O9Z | 0.8845 |
26 | 43O | 0.8843 |
27 | Y17 | 0.8841 |
28 | CDJ | 0.8838 |
29 | CRZ | 0.8835 |
30 | 1Q4 | 0.8834 |
31 | R4E | 0.8831 |
32 | DH2 | 0.8831 |
33 | 6XC | 0.8829 |
34 | NYJ | 0.8827 |
35 | O9Q | 0.8824 |
36 | 3WN | 0.8820 |
37 | 3WO | 0.8820 |
38 | HAN | 0.8820 |
39 | LU2 | 0.8817 |
40 | HWH | 0.8814 |
41 | W8L | 0.8811 |
42 | Q5M | 0.8807 |
43 | ASE | 0.8807 |
44 | BRY | 0.8803 |
45 | 34L | 0.8801 |
46 | JYW | 0.8799 |
47 | NAR | 0.8786 |
48 | 74Z | 0.8783 |
49 | IRH | 0.8783 |
50 | JY2 | 0.8781 |
51 | LI7 | 0.8769 |
52 | 4K2 | 0.8769 |
53 | 5EZ | 0.8765 |
54 | AGI | 0.8761 |
55 | 9E3 | 0.8746 |
56 | LI4 | 0.8744 |
57 | O9T | 0.8720 |
58 | 1VY | 0.8714 |
59 | 5WW | 0.8713 |
60 | MRI | 0.8712 |
61 | HUL | 0.8709 |
62 | SU9 | 0.8708 |
63 | 6BD | 0.8703 |
64 | 3F4 | 0.8700 |
65 | MYU | 0.8684 |
66 | 5NN | 0.8681 |
67 | OTA | 0.8680 |
68 | MYC | 0.8674 |
69 | INI | 0.8672 |
70 | IM5 | 0.8665 |
71 | BHF | 0.8664 |
72 | 340 | 0.8654 |
73 | 57D | 0.8653 |
74 | FZB | 0.8652 |
75 | RGK | 0.8647 |
76 | 3JC | 0.8645 |
77 | 3GX | 0.8643 |
78 | DFV | 0.8642 |
79 | OPA | 0.8642 |
80 | SAK | 0.8639 |
81 | PE2 | 0.8637 |
82 | AXX | 0.8633 |
83 | BGC IBZ | 0.8623 |
84 | GLC IBZ | 0.8623 |
85 | M9K | 0.8614 |
86 | D64 | 0.8605 |
87 | 3M8 | 0.8592 |
88 | J8G | 0.8586 |
89 | IDD | 0.8586 |
90 | GEN | 0.8576 |
91 | UN4 | 0.8571 |
92 | 6DQ | 0.8570 |
93 | XZ1 | 0.8554 |
94 | S0I | 0.8551 |
95 | COL | 0.8542 |
96 | F40 | 0.8530 |
97 | FUN | 0.8519 |
This union binding pocket(no: 1) in the query (biounit: 3ge7.bio1) has 34 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3ge7.bio1) has 34 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |