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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 28 families. | |||||
1 | 2YDU | - | 79W | C11 H10 O4 S | c1cc(cc(c1.... |
2 | 1XXV | - | ACE ASP ALA ASP GLU FTY LEU NH2 | n/a | n/a |
3 | 4ZN5 | - | DVG | C3 H10 O8 V2 | C1[C@H]([O.... |
4 | 1PA9 | Ki = 25 uM | CSN | C6 H5 N O7 S | c1cc(c(cc1.... |
5 | 3U96 | - | CSN | C6 H5 N O7 S | c1cc(c(cc1.... |
6 | 4ZI4 | - | DVG | C3 H10 O8 V2 | C1[C@H]([O.... |
7 | 2Y2F | - | YI1 | C14 H15 F2 N O4 P | c1cc(cc(c1.... |
8 | 1QZ0 | - | ASP ALA ASP GLU FTY LEU NH2 | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 18 families. | |||||
1 | 2YDU | - | 79W | C11 H10 O4 S | c1cc(cc(c1.... |
2 | 1XXV | - | ACE ASP ALA ASP GLU FTY LEU NH2 | n/a | n/a |
3 | 4ZN5 | - | DVG | C3 H10 O8 V2 | C1[C@H]([O.... |
4 | 1PA9 | Ki = 25 uM | CSN | C6 H5 N O7 S | c1cc(c(cc1.... |
5 | 3U96 | - | CSN | C6 H5 N O7 S | c1cc(c(cc1.... |
6 | 4ZI4 | - | DVG | C3 H10 O8 V2 | C1[C@H]([O.... |
7 | 2Y2F | - | YI1 | C14 H15 F2 N O4 P | c1cc(cc(c1.... |
8 | 1QZ0 | - | ASP ALA ASP GLU FTY LEU NH2 | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 79W | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | F16 | 0.9299 |
2 | EAJ | 0.9204 |
3 | AUV | 0.9177 |
4 | T2D | 0.9172 |
5 | Q4G | 0.9165 |
6 | WVV | 0.9153 |
7 | TI7 | 0.9149 |
8 | 1SF | 0.9126 |
9 | B2T | 0.9124 |
10 | 1KN | 0.9110 |
11 | L5D | 0.9067 |
12 | 2GD | 0.9064 |
13 | X11 | 0.9064 |
14 | IQQ | 0.8991 |
15 | 6HX | 0.8989 |
16 | 4G2 | 0.8984 |
17 | B21 | 0.8969 |
18 | W29 | 0.8967 |
19 | WOE | 0.8958 |
20 | BP3 | 0.8958 |
21 | II4 | 0.8957 |
22 | AVA | 0.8952 |
23 | X6P | 0.8952 |
24 | 1ER | 0.8944 |
25 | 1FL | 0.8934 |
26 | CK2 | 0.8930 |
27 | TIA | 0.8929 |
28 | 1A7 | 0.8925 |
29 | FCD | 0.8924 |
30 | KJM | 0.8924 |
31 | M83 | 0.8921 |
32 | URI | 0.8918 |
33 | BPY | 0.8907 |
34 | A7K | 0.8902 |
35 | FC2 | 0.8890 |
36 | D3G | 0.8881 |
37 | DCZ | 0.8879 |
38 | BBY | 0.8876 |
39 | XDK | 0.8871 |
40 | 5C1 | 0.8867 |
41 | VM1 | 0.8863 |
42 | EAT | 0.8861 |
43 | JF8 | 0.8861 |
44 | 9UL | 0.8858 |
45 | 4GU | 0.8854 |
46 | KCH | 0.8845 |
47 | 1ZC | 0.8844 |
48 | NNR | 0.8835 |
49 | 9FG | 0.8833 |
50 | NIY | 0.8828 |
51 | G14 | 0.8820 |
52 | L1T | 0.8818 |
53 | 4FF | 0.8811 |
54 | JSX | 0.8804 |
55 | AV4 | 0.8792 |
56 | KWB | 0.8783 |
57 | S1D | 0.8780 |
58 | K80 | 0.8775 |
59 | 1AJ | 0.8770 |
60 | U2Z | 0.8770 |
61 | 5JT | 0.8762 |
62 | JGB | 0.8760 |
63 | 7UZ | 0.8756 |
64 | VBC | 0.8755 |
65 | YE6 | 0.8752 |
66 | LFQ | 0.8749 |
67 | TJM | 0.8749 |
68 | GNW | 0.8745 |
69 | 4ZF | 0.8739 |
70 | DAH | 0.8735 |
71 | XYP XIF | 0.8731 |
72 | XIF XYP | 0.8731 |
73 | 6NZ | 0.8726 |
74 | JMG | 0.8726 |
75 | 1XS | 0.8720 |
76 | 3AD | 0.8719 |
77 | AZY | 0.8711 |
78 | PIR | 0.8708 |
79 | 0GA | 0.8706 |
80 | JWS | 0.8692 |
81 | A8Q | 0.8689 |
82 | 16Z | 0.8688 |
83 | TCC | 0.8686 |
84 | N2Y | 0.8682 |
85 | 3D8 | 0.8680 |
86 | B41 | 0.8679 |
87 | RVD | 0.8676 |
88 | Q2S | 0.8673 |
89 | 2D2 | 0.8669 |
90 | ODK | 0.8667 |
91 | 9CE | 0.8660 |
92 | 6J3 | 0.8650 |
93 | 3IL | 0.8647 |
94 | IYR | 0.8643 |
95 | ARJ | 0.8643 |
96 | 0UL | 0.8623 |
97 | 5AE | 0.8621 |
98 | SY4 | 0.8618 |
99 | NOC | 0.8617 |
100 | 5E5 | 0.8614 |
101 | VJJ | 0.8608 |
102 | D2G | 0.8606 |
103 | QME | 0.8606 |
104 | ITW | 0.8601 |
105 | FCW | 0.8600 |
106 | L98 | 0.8597 |
107 | KLE | 0.8597 |
108 | 0OO | 0.8596 |
109 | 2B4 | 0.8595 |
110 | 272 | 0.8587 |
111 | Q2R | 0.8587 |
112 | EQA | 0.8585 |
113 | OSP | 0.8577 |
114 | XDN XYP | 0.8567 |
115 | XIL | 0.8560 |
116 | XYP XDN | 0.8550 |
117 | ID8 | 0.8544 |
118 | 2GE | 0.8543 |
119 | CJB | 0.8541 |
120 | XDL XYP | 0.8540 |
This union binding pocket(no: 1) in the query (biounit: 1pa9.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |