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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 25 families. | |||||
1 | 6O5J | - | LM7 | C14 H9 N3 O5 | c1ccc2c(c1.... |
2 | 6AP6 | Kd = 4.3 uM | TLF | C14 H12 Cl N O2 | Cc1c(cccc1.... |
3 | 6AP7 | Kd = 4.6 uM | BNY | C14 H12 N2 O4 | Cc1c(cccc1.... |
4 | 6AP8 | Kd = 8 uM | BNY | C14 H12 N2 O4 | Cc1c(cccc1.... |
5 | 3WIO | - | H3M | C5 H6 O3 | CC1=C[C@@H.... |
6 | 5YZ7 | - | 94X | C12 H13 Br O3 | C/C(=C/[C@.... |
7 | 5DJ5 | ic50 = 2.5 uM | GR2 | C17 H14 O5 | CC1=C[C@@H.... |
8 | 6BRT | - | H3M | C5 H6 O3 | CC1=C[C@@H.... |
9 | 4JYM | - | KKN | C8 H6 O3 | CC1=C2C=CO.... |
10 | 5DNU | Kd = 77.6 uM | KKN | C8 H6 O3 | CC1=C2C=CO.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 22 families. | |||||
1 | 6O5J | - | LM7 | C14 H9 N3 O5 | c1ccc2c(c1.... |
2 | 6AP6 | Kd = 4.3 uM | TLF | C14 H12 Cl N O2 | Cc1c(cccc1.... |
3 | 6AP7 | Kd = 4.6 uM | BNY | C14 H12 N2 O4 | Cc1c(cccc1.... |
4 | 6AP8 | Kd = 8 uM | BNY | C14 H12 N2 O4 | Cc1c(cccc1.... |
5 | 3WIO | - | H3M | C5 H6 O3 | CC1=C[C@@H.... |
6 | 5YZ7 | - | 94X | C12 H13 Br O3 | C/C(=C/[C@.... |
7 | 5DJ5 | ic50 = 2.5 uM | GR2 | C17 H14 O5 | CC1=C[C@@H.... |
8 | 6BRT | - | H3M | C5 H6 O3 | CC1=C[C@@H.... |
9 | 4JYM | - | KKN | C8 H6 O3 | CC1=C2C=CO.... |
10 | 5DNU | Kd = 77.6 uM | KKN | C8 H6 O3 | CC1=C2C=CO.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 94X | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | SX2 | 0.9349 |
2 | OJD | 0.9256 |
3 | 3IP | 0.9180 |
4 | TPM | 0.9166 |
5 | MJW | 0.9159 |
6 | 5R8 | 0.9145 |
7 | T03 | 0.9125 |
8 | BVB | 0.9075 |
9 | 848 | 0.9062 |
10 | KPV | 0.9036 |
11 | STL | 0.9024 |
12 | CIU | 0.9021 |
13 | F18 | 0.9011 |
14 | OLU | 0.8996 |
15 | IPO | 0.8996 |
16 | 4FP | 0.8988 |
17 | AOY | 0.8965 |
18 | 5S9 | 0.8935 |
19 | 11X | 0.8933 |
20 | 6H2 | 0.8915 |
21 | CBE | 0.8914 |
22 | V15 | 0.8912 |
23 | 0NJ | 0.8910 |
24 | 6C4 | 0.8904 |
25 | 833 | 0.8900 |
26 | LZ5 | 0.8886 |
27 | 0SY | 0.8884 |
28 | RE4 | 0.8879 |
29 | D8Y | 0.8874 |
30 | BVS | 0.8868 |
31 | 9JT | 0.8860 |
32 | A9B | 0.8860 |
33 | 8CV | 0.8859 |
34 | 7EH | 0.8857 |
35 | 68B | 0.8847 |
36 | 4FC | 0.8825 |
37 | C4E | 0.8824 |
38 | XYS XYS | 0.8819 |
39 | JF5 | 0.8813 |
40 | ZRK | 0.8812 |
41 | YIH | 0.8812 |
42 | 5O5 | 0.8804 |
43 | DAH | 0.8801 |
44 | 0OM | 0.8801 |
45 | BZM | 0.8799 |
46 | 28A | 0.8797 |
47 | 6FG | 0.8794 |
48 | HRG | 0.8788 |
49 | J4K | 0.8783 |
50 | B5A | 0.8782 |
51 | 0X2 | 0.8779 |
52 | 5CQ | 0.8776 |
53 | ESE | 0.8772 |
54 | S0D | 0.8770 |
55 | A51 | 0.8769 |
56 | RQD | 0.8767 |
57 | 5TO | 0.8767 |
58 | 0XR | 0.8762 |
59 | 6FR | 0.8758 |
60 | TYR | 0.8755 |
61 | FHV | 0.8751 |
62 | 1HP | 0.8751 |
63 | FZ3 | 0.8751 |
64 | 1G9 | 0.8750 |
65 | DFL | 0.8747 |
66 | ENO | 0.8745 |
67 | EAT | 0.8745 |
68 | 5PV | 0.8744 |
69 | RDM | 0.8738 |
70 | 2MR | 0.8737 |
71 | 3VW | 0.8736 |
72 | J3B | 0.8722 |
73 | FYR | 0.8720 |
74 | 38E | 0.8717 |
75 | S7V | 0.8715 |
76 | 5R9 | 0.8709 |
77 | EYJ | 0.8709 |
78 | G2V | 0.8702 |
79 | L2K | 0.8700 |
80 | FZM | 0.8700 |
81 | TID | 0.8698 |
82 | U13 | 0.8694 |
83 | 6IP | 0.8691 |
84 | 6P3 | 0.8690 |
85 | 4CN | 0.8686 |
86 | RNK | 0.8684 |
87 | 0K7 | 0.8680 |
88 | 397 | 0.8679 |
89 | NKI | 0.8676 |
90 | EQA | 0.8672 |
91 | GNW | 0.8671 |
92 | 25F | 0.8666 |
93 | KLS | 0.8666 |
94 | 5B2 | 0.8665 |
95 | PHQ ALA | 0.8659 |
96 | 2P3 | 0.8654 |
97 | C0H | 0.8653 |
98 | PHQ DAL | 0.8651 |
99 | G3M | 0.8646 |
100 | E9S | 0.8640 |
101 | 0UL | 0.8637 |
102 | 2JX | 0.8635 |
103 | ZZU | 0.8633 |
104 | MR6 | 0.8630 |
105 | 6C5 | 0.8630 |
106 | EQW | 0.8629 |
107 | PIT | 0.8625 |
108 | F90 | 0.8617 |
109 | F63 | 0.8611 |
110 | FUB AHR | 0.8611 |
111 | 5TU | 0.8611 |
112 | S7D | 0.8608 |
113 | DA2 | 0.8608 |
114 | GAT | 0.8608 |
115 | H75 | 0.8603 |
116 | PIQ | 0.8602 |
117 | 0A1 | 0.8598 |
118 | ERZ | 0.8591 |
119 | OGY | 0.8584 |
120 | 3KJ | 0.8584 |
121 | NPS | 0.8584 |
122 | HAR | 0.8579 |
123 | 1FL | 0.8577 |
124 | IS2 | 0.8574 |
125 | 0A9 | 0.8571 |
126 | 0DF | 0.8566 |
127 | 6C8 | 0.8560 |
128 | SZ5 | 0.8554 |
129 | 135 | 0.8550 |
130 | 6SD | 0.8548 |
131 | 00G | 0.8540 |
132 | Z70 | 0.8537 |
This union binding pocket(no: 1) in the query (biounit: 6ap8.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6ap8.bio2) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |