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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 1331 families. | |||||
1 | 6PD7 | Kd = 290 uM | OAJ | C21 H20 N2 O5 | Cc1cc(ccc1.... |
2 | 6PBI | Kd = 365 uM | O6Y | C20 H20 N2 O3 | Cc1cc(ccc1.... |
3 | 6PVZ | Kd = 341 uM | OZM | C17 H14 O3 | c1ccc(cc1).... |
4 | 6PLI | Kd = 230 uM | ONY | C22 H22 N4 O3 | Cc1cc(ccc1.... |
5 | 6PML | Kd = 820 uM | OR4 | C17 H14 O4 | c1ccc(cc1).... |
6 | 6PDH | Kd = 62 uM | OAV | C23 H24 N4 O2 | CCN(CCn1cc.... |
7 | 6BR4 | - | 60L | C12 H13 N S | CNCc1cccc(.... |
8 | 4ZIJ | Kd = 565 uM | SFQ | C13 H10 I N O4 S | c1ccc(c(c1.... |
9 | 6PMF | - | LD9 | C16 H13 N O3 | c1ccc(cc1).... |
10 | 4WF4 | Kd = 777 uM | WF4 | C12 H8 F3 N O2 S | Cc1c(sc(n1.... |
11 | 6WHD | Kd = 490 uM | KFS | C16 H13 N O3 | Cc1cc(ccc1.... |
12 | 4WET | Kd = 444 uM | WEF | C21 H17 F3 N2 O4 S | Cc1c(sc(n1.... |
13 | 6PGJ | - | OAJ | C21 H20 N2 O5 | Cc1cc(ccc1.... |
14 | 6PC9 | Kd = 480 uM | O7P | C21 H21 N3 O3 | Cc1cc(ccc1.... |
15 | 6POQ | Kd = 2700 uM | OVJ | C17 H15 N O4 | COc1ccc(cc.... |
16 | 6BQX | - | 9AG | C14 H15 N O | CNCc1ccc(c.... |
17 | 4WF5 | Kd = 777 uM | WF4 | C12 H8 F3 N O2 S | Cc1c(sc(n1.... |
18 | 6PG1 | - | O7P | C21 H21 N3 O3 | Cc1cc(ccc1.... |
19 | 6PIQ | - | OAV | C23 H24 N4 O2 | CCN(CCn1cc.... |
20 | 6POI | Kd = 326 uM | OVS | C16 H12 O4 | c1ccc(cc1).... |
21 | 6PG2 | - | O6Y | C20 H20 N2 O3 | Cc1cc(ccc1.... |
22 | 6PVY | Kd = 639 uM | OZG | C17 H14 O5 | COc1cccc(c.... |
23 | 4WEY | Kd = 318 uM | EG6 | C15 H13 F3 N2 O4 S | Cc1c(sc(n1.... |
24 | 6POH | Kd = 1970 uM | OVG | C14 H16 O4 | CCCCOc1ccc.... |
25 | 4OD7 | - | ACE PRO TRP ALA THR CYS ASP SER NH2 | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 6PD7 | Kd = 290 uM | OAJ | C21 H20 N2 O5 | Cc1cc(ccc1.... |
2 | 6PBI | Kd = 365 uM | O6Y | C20 H20 N2 O3 | Cc1cc(ccc1.... |
3 | 6PVZ | Kd = 341 uM | OZM | C17 H14 O3 | c1ccc(cc1).... |
4 | 6PLI | Kd = 230 uM | ONY | C22 H22 N4 O3 | Cc1cc(ccc1.... |
5 | 6PML | Kd = 820 uM | OR4 | C17 H14 O4 | c1ccc(cc1).... |
6 | 6PDH | Kd = 62 uM | OAV | C23 H24 N4 O2 | CCN(CCn1cc.... |
7 | 6BR4 | - | 60L | C12 H13 N S | CNCc1cccc(.... |
8 | 4ZIJ | Kd = 565 uM | SFQ | C13 H10 I N O4 S | c1ccc(c(c1.... |
9 | 6PMF | - | LD9 | C16 H13 N O3 | c1ccc(cc1).... |
10 | 4WF4 | Kd = 777 uM | WF4 | C12 H8 F3 N O2 S | Cc1c(sc(n1.... |
11 | 6WHD | Kd = 490 uM | KFS | C16 H13 N O3 | Cc1cc(ccc1.... |
12 | 4WET | Kd = 444 uM | WEF | C21 H17 F3 N2 O4 S | Cc1c(sc(n1.... |
13 | 6PGJ | - | OAJ | C21 H20 N2 O5 | Cc1cc(ccc1.... |
14 | 6PC9 | Kd = 480 uM | O7P | C21 H21 N3 O3 | Cc1cc(ccc1.... |
15 | 6POQ | Kd = 2700 uM | OVJ | C17 H15 N O4 | COc1ccc(cc.... |
16 | 6BQX | - | 9AG | C14 H15 N O | CNCc1ccc(c.... |
17 | 4WF5 | Kd = 777 uM | WF4 | C12 H8 F3 N O2 S | Cc1c(sc(n1.... |
18 | 6PG1 | - | O7P | C21 H21 N3 O3 | Cc1cc(ccc1.... |
19 | 6PIQ | - | OAV | C23 H24 N4 O2 | CCN(CCn1cc.... |
20 | 6POI | Kd = 326 uM | OVS | C16 H12 O4 | c1ccc(cc1).... |
21 | 6PG2 | - | O6Y | C20 H20 N2 O3 | Cc1cc(ccc1.... |
22 | 6PVY | Kd = 639 uM | OZG | C17 H14 O5 | COc1cccc(c.... |
23 | 4WEY | Kd = 318 uM | EG6 | C15 H13 F3 N2 O4 S | Cc1c(sc(n1.... |
24 | 6POH | Kd = 1970 uM | OVG | C14 H16 O4 | CCCCOc1ccc.... |
25 | 4OD7 | - | ACE PRO TRP ALA THR CYS ASP SER NH2 | n/a | n/a |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 5NR | 0.9728 |
2 | W1G | 0.9688 |
3 | A7Q | 0.9652 |
4 | PV4 | 0.9547 |
5 | E9P | 0.9544 |
6 | 3VR | 0.9539 |
7 | 9JH | 0.9421 |
8 | QTK | 0.9318 |
9 | HGK | 0.9310 |
10 | 3W1 | 0.9255 |
11 | N9M | 0.9236 |
12 | 9VQ | 0.9216 |
13 | MJ5 | 0.9200 |
14 | N2Y | 0.9191 |
15 | CH8 | 0.9176 |
16 | VIB | 0.9174 |
17 | 22F | 0.9168 |
18 | HX8 | 0.9165 |
19 | S0F | 0.9163 |
20 | HXY | 0.9141 |
21 | 4MP | 0.9140 |
22 | FPL | 0.9133 |
23 | 1V6 | 0.9115 |
24 | JA3 | 0.9075 |
25 | YIE | 0.9074 |
26 | 69K | 0.9058 |
27 | 3S9 | 0.9035 |
28 | EQW | 0.9034 |
29 | DCN | 0.9033 |
30 | 8OE | 0.9026 |
31 | 4FP | 0.9014 |
32 | SOJ | 0.9013 |
33 | IO2 | 0.9012 |
34 | BZM | 0.9007 |
35 | A8K | 0.8991 |
36 | C82 | 0.8984 |
37 | 7ZO | 0.8982 |
38 | 8OB | 0.8981 |
39 | QTD | 0.8979 |
40 | FT3 | 0.8977 |
41 | FT2 | 0.8954 |
42 | PB2 | 0.8953 |
43 | DBE | 0.8940 |
44 | H48 | 0.8931 |
45 | EPE | 0.8926 |
46 | GJG | 0.8925 |
47 | 3IP | 0.8923 |
48 | FCW | 0.8916 |
49 | Q8D | 0.8913 |
50 | TCL | 0.8892 |
51 | S46 | 0.8890 |
52 | ERZ | 0.8887 |
53 | BSU | 0.8879 |
54 | TCC | 0.8869 |
55 | SU7 | 0.8869 |
56 | PZX | 0.8849 |
57 | 4EU | 0.8847 |
58 | TPM | 0.8840 |
59 | 250 | 0.8836 |
60 | Q8G | 0.8835 |
61 | RK4 | 0.8830 |
62 | NK5 | 0.8827 |
63 | 6DH | 0.8827 |
64 | C6Z | 0.8814 |
65 | LZ4 | 0.8808 |
66 | EZL | 0.8803 |
67 | S0B | 0.8793 |
68 | X6W | 0.8787 |
69 | 1KN | 0.8786 |
70 | WCU | 0.8783 |
71 | BGK | 0.8761 |
72 | 15Q | 0.8758 |
73 | 14N | 0.8750 |
74 | 1US | 0.8745 |
75 | FB4 | 0.8743 |
76 | A6Z | 0.8742 |
77 | HMZ | 0.8733 |
78 | RYY | 0.8731 |
79 | AJG | 0.8727 |
80 | TYR | 0.8704 |
81 | SVG | 0.8703 |
82 | A6H | 0.8702 |
83 | U55 | 0.8700 |
84 | 9X3 | 0.8691 |
85 | XI7 | 0.8691 |
86 | 4PG | 0.8689 |
87 | 0OL | 0.8679 |
88 | F6R | 0.8676 |
89 | 90G | 0.8670 |
90 | 3DE | 0.8666 |
91 | A11 | 0.8664 |
92 | 7KE | 0.8661 |
93 | QTJ | 0.8655 |
94 | VFJ | 0.8651 |
95 | A18 | 0.8639 |
96 | 27M | 0.8629 |
97 | 5TO | 0.8624 |
98 | NPX | 0.8613 |
99 | HL6 | 0.8603 |
100 | 6C4 | 0.8602 |
101 | 7EL | 0.8589 |
102 | 51Y | 0.8582 |
103 | 4UM | 0.8570 |
104 | LL2 | 0.8565 |
105 | 2GA | 0.8558 |
106 | 7EH | 0.8544 |
107 | FZ0 | 0.8532 |
108 | OGY | 0.8530 |
109 | KUP | 0.8513 |
This union binding pocket(no: 1) in the query (biounit: 6pdh.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |