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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 22 families. | |||||
1 | 5N6T | - | 8P2 | C7 H11 N2 O4 | C([C@@H]1[.... |
2 | 2WBG | Ki = 35.2 uM | LGS | C15 H28 N2 O5 | CCCCCCCC/N.... |
3 | 2J7H | Kd = 65 nM | AZF | C5 H12 N2 O3 | C1[C@H]([C.... |
4 | 2J7D | Kd = 74 nM | GI1 | C10 H17 N2 O6 | CO[C@@H](c.... |
5 | 1W3J | Kd = 484 nM | OXZ | C5 H11 N O4 | C1[C@H]([C.... |
6 | 2J7C | Ki = 10.7 nM | IDE | C15 H19 N3 O4 | c1ccc(cc1).... |
7 | 2J79 | Kd = 1.1 uM | GTL | C6 H12 N2 O5 | C([C@@H]1[.... |
8 | 2WC3 | Ki = 0.83 uM | AM3 | C15 H28 N2 O5 | CCCCCCCC/N.... |
9 | 2J75 | - | NOY | C6 H13 N O4 | C1[C@@H]([.... |
10 | 2VRJ | Kd = 0.5 uM | NCW | C15 H28 N2 O4 S | CCCCCCCCNC.... |
11 | 2J7F | Kd = 445 nM | GI3 | C9 H13 N2 O6 | c1c([nH]c2.... |
12 | 2J77 | Kd = 12.9 uM | NOJ | C6 H13 N O4 | C1[C@@H]([.... |
13 | 5OSS | Kd = 28.3 uM | AEZ | C8 H12 N2 O4 | c1[nH]c2c(.... |
14 | 1UZ1 | Ki = 130 nM | IFL | C6 H11 N O4 | C1[C@@H]([.... |
15 | 2CBU | Kd = 2.1 uM | CTS | C8 H15 N O4 | C1C[N@]2C[.... |
16 | 2J7G | Kd = 100 nM | GI4 | C10 H15 N2 O6 | c1c([nH]c2.... |
17 | 5N6S | - | 8P5 | C13 H23 N4 O5 | C(CCN=[N+].... |
18 | 2WC4 | Kd = 5.1 uM | AMF | C15 H28 N2 O4 S | CCCCCCCCN=.... |
19 | 2CBV | Kd = 3.3 uM | CGB | C7 H13 N O4 | C1C[C@]2([.... |
20 | 1OIF | Ka = 51450000 M^-1 | IFM | C6 H13 N O3 | C1[C@@H]([.... |
21 | 2CES | Kd = 56 nM | GIM | C8 H13 N2 O4 | c1c[n+]2c(.... |
22 | 2J7E | Kd = 48 nM | GI2 | C11 H17 N2 O6 | COC(=O)Cc1.... |
23 | 2J78 | Kd = 384 nM | GOX | C6 H12 N2 O5 | C([C@@H]1[.... |
24 | 1OIM | Ka = 210000 M^-1 | NOJ | C6 H13 N O4 | C1[C@@H]([.... |
25 | 2CET | Kd = 9.6 nM | PGI | C16 H21 N2 O4 | c1ccc(cc1).... |
26 | 2J7B | Kd = 240 nM | NTZ | C6 H10 N4 O4 | C([C@@H]1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1W9D | ic50 = 0.58 mM | SEH | C10 H13 N O4 S2 | CCS/C(=NOS.... |
2 | 1W9B | ic50 = 0.99 mM | CGT | C15 H21 N O8 S2 | c1ccc(cc1).... |
3 | 1E6Q | Ki = 0.7 mM | NTZ | C6 H10 N4 O4 | C([C@@H]1[.... |
4 | 1E70 | - | G2F | C6 H11 F O5 | C([C@@H]1[.... |
5 | 1E71 | - | ASC | C6 H8 O6 | C([C@@H]([.... |
6 | 2WXD | ic50 = 3.3 uM | E18 | C12 H18 N2 O4 S2 | CN(C)CCS/C.... |
7 | 1E72 | Ki = 0.6 mM | GOX | C6 H12 N2 O5 | C([C@@H]1[.... |
8 | 1E6X | - | LGC | C6 H10 O6 | C([C@@H]1[.... |
9 | 1E73 | - | ASC | C6 H8 O6 | C([C@@H]([.... |
10 | 1E6S | Ki = 0.6 mM | GOX | C6 H12 N2 O5 | C([C@@H]1[.... |
11 | 1BGG | - | GCO | C6 H12 O7 | C([C@H]([C.... |
12 | 6R4K | Ki = 51 uM | JSK | C17 H25 N7 O4 | [H]/N=N/NC.... |
13 | 1E4I | - | NFG | C12 H13 F N2 O9 | c1cc(c(cc1.... |
14 | 4EK7 | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
15 | 3U57 | - | DH8 | C27 H34 N2 O8 | C/C=C/1[C@.... |
16 | 3U5Y | - | SCG | C17 H24 O10 | COC(=O)C1=.... |
17 | 5OKK | - | BGP | C6 H13 O9 P | C([C@@H]1[.... |
18 | 5OKE | - | BG6 | C6 H13 O9 P | C([C@@H]1[.... |
19 | 5OKR | - | BG6 | C6 H13 O9 P | C([C@@H]1[.... |
20 | 5OKG | - | BG6 | C6 H13 O9 P | C([C@@H]1[.... |
21 | 5OKQ | - | BGP | C6 H13 O9 P | C([C@@H]1[.... |
22 | 5OKS | - | BG6 | C6 H13 O9 P | C([C@@H]1[.... |
23 | 2ZOX | - | OLA | C18 H34 O2 | CCCCCCCCC=.... |
24 | 2E9M | - | OLA | C18 H34 O2 | CCCCCCCCC=.... |
25 | 2E9L | - | OLA | C18 H34 O2 | CCCCCCCCC=.... |
26 | 3AI0 | - | PNW | C12 H15 N O8 | c1cc(ccc1[.... |
27 | 4IPN | - | SGC RTG | n/a | n/a |
28 | 5N6T | - | 8P2 | C7 H11 N2 O4 | C([C@@H]1[.... |
29 | 2WBG | Ki = 35.2 uM | LGS | C15 H28 N2 O5 | CCCCCCCC/N.... |
30 | 2J7H | Kd = 65 nM | AZF | C5 H12 N2 O3 | C1[C@H]([C.... |
31 | 2J7D | Kd = 74 nM | GI1 | C10 H17 N2 O6 | CO[C@@H](c.... |
32 | 1W3J | Kd = 484 nM | OXZ | C5 H11 N O4 | C1[C@H]([C.... |
33 | 2J7C | Ki = 10.7 nM | IDE | C15 H19 N3 O4 | c1ccc(cc1).... |
34 | 2J79 | Kd = 1.1 uM | GTL | C6 H12 N2 O5 | C([C@@H]1[.... |
35 | 2WC3 | Ki = 0.83 uM | AM3 | C15 H28 N2 O5 | CCCCCCCC/N.... |
36 | 2J75 | - | NOY | C6 H13 N O4 | C1[C@@H]([.... |
37 | 2VRJ | Kd = 0.5 uM | NCW | C15 H28 N2 O4 S | CCCCCCCCNC.... |
38 | 2J7F | Kd = 445 nM | GI3 | C9 H13 N2 O6 | c1c([nH]c2.... |
39 | 2J77 | Kd = 12.9 uM | NOJ | C6 H13 N O4 | C1[C@@H]([.... |
40 | 5OSS | Kd = 28.3 uM | AEZ | C8 H12 N2 O4 | c1[nH]c2c(.... |
41 | 1UZ1 | Ki = 130 nM | IFL | C6 H11 N O4 | C1[C@@H]([.... |
42 | 2CBU | Kd = 2.1 uM | CTS | C8 H15 N O4 | C1C[N@]2C[.... |
43 | 2J7G | Kd = 100 nM | GI4 | C10 H15 N2 O6 | c1c([nH]c2.... |
44 | 5N6S | - | 8P5 | C13 H23 N4 O5 | C(CCN=[N+].... |
45 | 2WC4 | Kd = 5.1 uM | AMF | C15 H28 N2 O4 S | CCCCCCCCN=.... |
46 | 2CBV | Kd = 3.3 uM | CGB | C7 H13 N O4 | C1C[C@]2([.... |
47 | 1OIF | Ka = 51450000 M^-1 | IFM | C6 H13 N O3 | C1[C@@H]([.... |
48 | 2CES | Kd = 56 nM | GIM | C8 H13 N2 O4 | c1c[n+]2c(.... |
49 | 2J7E | Kd = 48 nM | GI2 | C11 H17 N2 O6 | COC(=O)Cc1.... |
50 | 2J78 | Kd = 384 nM | GOX | C6 H12 N2 O5 | C([C@@H]1[.... |
51 | 1OIM | Ka = 210000 M^-1 | NOJ | C6 H13 N O4 | C1[C@@H]([.... |
52 | 2CET | Kd = 9.6 nM | PGI | C16 H21 N2 O4 | c1ccc(cc1).... |
53 | 2J7B | Kd = 240 nM | NTZ | C6 H10 N4 O4 | C([C@@H]1[.... |
54 | 4JIE | - | BMA | C6 H12 O6 | C([C@@H]1[.... |
55 | 3AIV | - | HBO | C9 H9 N O5 | COc1ccc2c(.... |
56 | 3AIQ | - | HBO | C9 H9 N O5 | COc1ccc2c(.... |
57 | 3AIR | - | DNF | C6 H4 N2 O5 | c1cc(c(cc1.... |
58 | 3AIS | - | HBK BGC | n/a | n/a |
59 | 3AIW | - | DNF | C6 H4 N2 O5 | c1cc(c(cc1.... |
60 | 4PTX | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
61 | 4PTV | - | SGC BGC | n/a | n/a |
62 | 3GNP | - | SOG | C14 H28 O5 S | CCCCCCCCS[.... |
63 | 6RJM | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
64 | 6RK2 | - | 6GR | C13 H16 O8 | c1ccc(c(c1.... |
65 | 6RJO | - | SA0 | C13 H18 O7 | c1ccc(c(c1.... |
66 | 5AYI | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
67 | 1E56 | - | BGC HBO | n/a | n/a |
68 | 1E55 | Ki = 76 uM | DHR | C8 H7 N O2 | c1cc(ccc1[.... |
69 | 1V08 | Ki ~ 1 uM | NTZ | C6 H10 N4 O4 | C([C@@H]1[.... |
70 | 1E4N | - | HBO | C9 H9 N O5 | COc1ccc2c(.... |
71 | 1H49 | - | HBO BGC | n/a | n/a |
72 | 5GNX | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
73 | 5GNY | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
74 | 5GNZ | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
75 | 2E40 | - | LGC | C6 H10 O6 | C([C@@H]1[.... |
76 | 3F5K | Ki = 0.024 mM | BGC BGC BGC BGC BGC | n/a | n/a |
77 | 7BZM | - | GIM | C8 H13 N2 O4 | c1c[n+]2c(.... |
78 | 4QLL | Ka = 2400 M^-1 | BGC BGC BGC BGC | n/a | n/a |
79 | 4QLJ | - | BGC BGC BGC BGC | n/a | n/a |
80 | 3F5J | Ki = 0.052 mM | BGC BGC BGC BGC | n/a | n/a |
81 | 4QLK | Ka = 1800 M^-1 | BGC BGC BGC BGC | n/a | n/a |
82 | 3F5L | Ki = 0.191 mM | BGC BGC | n/a | n/a |
83 | 3PTQ | - | NFG | C12 H13 F N2 O9 | c1cc(c(cc1.... |
84 | 4PBG | - | BGP | C6 H13 O9 P | C([C@@H]1[.... |
85 | 3CMJ | - | SRT | C4 H6 O6 | [C@H]([C@H.... |
86 | 5YIF | - | 8VR | C9 H14 O8 | C[C@]1(OC[.... |
87 | 1V03 | - | BGC CCN IPH | n/a | n/a |
88 | 2O9T | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
89 | 2O9R | Ki = 21 mM | SGC BGC | n/a | n/a |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | C09 | 0.9207 |
2 | BDI | 0.9032 |
3 | UAY | 0.8992 |
4 | B2E | 0.8982 |
5 | 3WK | 0.8970 |
6 | R4E | 0.8963 |
7 | X0T | 0.8954 |
8 | YE6 | 0.8939 |
9 | Q5M | 0.8907 |
10 | UQ1 | 0.8901 |
11 | XG1 | 0.8899 |
12 | PLP | 0.8882 |
13 | 5WS | 0.8881 |
14 | HA6 | 0.8852 |
15 | D80 | 0.8852 |
16 | RUG | 0.8844 |
17 | D87 | 0.8837 |
18 | UN9 | 0.8835 |
19 | DL6 | 0.8835 |
20 | CR1 | 0.8834 |
21 | BIO | 0.8834 |
22 | MQ1 | 0.8824 |
23 | AYS | 0.8821 |
24 | AZC | 0.8818 |
25 | G6P | 0.8814 |
26 | NW1 | 0.8813 |
27 | PMM | 0.8808 |
28 | TGW | 0.8805 |
29 | NEU | 0.8791 |
30 | CMG | 0.8791 |
31 | 1Q4 | 0.8787 |
32 | FSU | 0.8783 |
33 | 7GP | 0.8779 |
34 | B61 | 0.8779 |
35 | 4P8 | 0.8772 |
36 | ELH | 0.8771 |
37 | NKI | 0.8768 |
38 | ZW2 | 0.8764 |
39 | 7PJ | 0.8762 |
40 | Z25 | 0.8761 |
41 | LVE | 0.8759 |
42 | 7PS | 0.8756 |
43 | 6GP | 0.8754 |
44 | M1D | 0.8749 |
45 | H35 | 0.8742 |
46 | IKY | 0.8741 |
47 | B23 | 0.8732 |
48 | B5A | 0.8719 |
49 | 5PK | 0.8718 |
50 | CX4 | 0.8715 |
51 | 8Y7 | 0.8713 |
52 | ZIP | 0.8713 |
53 | BIE | 0.8709 |
54 | BHG | 0.8707 |
55 | JZR | 0.8707 |
56 | TCW | 0.8707 |
57 | QUB | 0.8700 |
58 | QNM | 0.8694 |
59 | MBP | 0.8693 |
60 | ZEA | 0.8687 |
61 | QC1 | 0.8676 |
62 | OSB | 0.8674 |
63 | GZV | 0.8669 |
64 | A4V | 0.8668 |
65 | MPU | 0.8666 |
66 | TH1 | 0.8663 |
67 | JD7 | 0.8661 |
68 | 8MP | 0.8660 |
69 | NHT | 0.8656 |
70 | KU1 | 0.8655 |
71 | IDE | 0.8652 |
72 | NIP | 0.8649 |
73 | NBV | 0.8644 |
74 | 3AK | 0.8642 |
75 | WL3 | 0.8638 |
76 | SJK | 0.8635 |
77 | BC3 | 0.8635 |
78 | AUY | 0.8629 |
79 | NB1 | 0.8627 |
80 | 3TV | 0.8622 |
81 | FNT | 0.8606 |
82 | EMU | 0.8605 |
83 | NQH | 0.8603 |
84 | UN4 | 0.8587 |
85 | 8GP | 0.8586 |
86 | JXQ | 0.8586 |
87 | CG | 0.8584 |
88 | 16Z | 0.8583 |
89 | ALJ | 0.8581 |
90 | OX2 | 0.8579 |
91 | FC3 | 0.8572 |
92 | 0J2 | 0.8564 |
93 | JO8 | 0.8546 |
94 | 7AP | 0.8541 |
95 | 3D8 | 0.8537 |
96 | 5M2 | 0.8536 |
97 | M01 | 0.8534 |
This union binding pocket(no: 1) in the query (biounit: 2cet.bio2) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2cet.bio1) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |