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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 14 families. | |||||
1 | 6G0W | ic50 = 5.2 uM | EGW | C25 H23 F N2 O3 | c1cc(cc(c1.... |
2 | 3SMI | - | QDR | C12 H12 N6 O S | Cc1cccc2c1.... |
3 | 5LXP | ic50 = 0.76 uM | 7AG | C24 H28 N6 O3 | C[C@@H](Cn.... |
4 | 5LYH | ic50 = 0.49 uM | 7B8 | C24 H27 N7 O7 S | c1cc(cc(c1.... |
5 | 3SE2 | - | LDR | C13 H9 N O | c1ccc2c(c1.... |
6 | 6FYM | - | EBB | C15 H14 N4 O S | Cc1ccc2c(c.... |
7 | 5V7T | ic50 = 610 nM | 91V | C27 H32 N6 O | c1ccc(cc1).... |
8 | 3SMJ | - | FDR | C10 H10 N2 O S | CC1=Nc2c(c.... |
9 | 4F1L | - | 0RY | C11 H10 N2 O4 | c1cc(cc(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 9 families. | |||||
1 | 6G0W | ic50 = 5.2 uM | EGW | C25 H23 F N2 O3 | c1cc(cc(c1.... |
2 | 3SMI | - | QDR | C12 H12 N6 O S | Cc1cccc2c1.... |
3 | 5LXP | ic50 = 0.76 uM | 7AG | C24 H28 N6 O3 | C[C@@H](Cn.... |
4 | 5LYH | ic50 = 0.49 uM | 7B8 | C24 H27 N7 O7 S | c1cc(cc(c1.... |
5 | 5LX6 | ic50 = 1900 nM | 78P | C13 H16 N4 O | C[C@@]1(CC.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | QDR | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 0RU | 0.9645 |
2 | EBB | 0.9321 |
3 | 1UA | 0.9271 |
4 | R4E | 0.9189 |
5 | 4JV | 0.9148 |
6 | F91 | 0.9132 |
7 | L12 | 0.9131 |
8 | IDE | 0.9117 |
9 | T5J | 0.9112 |
10 | 6IP | 0.9096 |
11 | 2H4 | 0.9056 |
12 | 2ZI | 0.9042 |
13 | 5RU | 0.9035 |
14 | BHB | 0.9034 |
15 | 1A6 | 0.9022 |
16 | IY5 | 0.9012 |
17 | M0S | 0.9011 |
18 | JBB | 0.9010 |
19 | M0P | 0.8996 |
20 | PGI | 0.8987 |
21 | 1OX | 0.8987 |
22 | 5WW | 0.8968 |
23 | M0M | 0.8967 |
24 | 5V3 | 0.8963 |
25 | 3TI | 0.8963 |
26 | AEY | 0.8957 |
27 | EXP | 0.8954 |
28 | 3G3 | 0.8953 |
29 | 5RW | 0.8950 |
30 | IW5 | 0.8948 |
31 | 338 | 0.8943 |
32 | 1UT | 0.8941 |
33 | ECZ | 0.8940 |
34 | 1V0 | 0.8928 |
35 | IAG | 0.8921 |
36 | V30 | 0.8915 |
37 | 5RX | 0.8906 |
38 | MH5 | 0.8899 |
39 | 1UR | 0.8898 |
40 | EX7 | 0.8893 |
41 | 4KN | 0.8891 |
42 | 06R | 0.8886 |
43 | LJ2 | 0.8885 |
44 | RNP | 0.8877 |
45 | M62 | 0.8875 |
46 | IM5 | 0.8874 |
47 | A64 | 0.8872 |
48 | HH7 | 0.8871 |
49 | 5HG | 0.8864 |
50 | 4TX | 0.8861 |
51 | XAV | 0.8857 |
52 | JKN | 0.8856 |
53 | F08 | 0.8850 |
54 | GN5 | 0.8849 |
55 | HAN | 0.8845 |
56 | SCE | 0.8839 |
57 | SNP | 0.8832 |
58 | 9PP | 0.8831 |
59 | IPL | 0.8831 |
60 | FIP | 0.8829 |
61 | CMG | 0.8828 |
62 | JZ8 | 0.8828 |
63 | 29F | 0.8825 |
64 | HA1 | 0.8824 |
65 | NHV | 0.8820 |
66 | Q5M | 0.8820 |
67 | O53 | 0.8819 |
68 | 6NJ | 0.8817 |
69 | 5YA | 0.8811 |
70 | JZR | 0.8809 |
71 | A63 | 0.8807 |
72 | DIH | 0.8807 |
73 | M1D | 0.8802 |
74 | H0V | 0.8797 |
75 | PW8 | 0.8795 |
76 | F36 | 0.8793 |
77 | 1V8 | 0.8793 |
78 | INI | 0.8790 |
79 | 08C | 0.8788 |
80 | F1T | 0.8786 |
81 | 9M9 | 0.8786 |
82 | 9C8 | 0.8780 |
83 | LJ1 | 0.8776 |
84 | W2E | 0.8774 |
85 | KWK | 0.8773 |
86 | KVD | 0.8772 |
87 | 35K | 0.8771 |
88 | DBT | 0.8771 |
89 | 97K | 0.8766 |
90 | ALJ | 0.8766 |
91 | JYN | 0.8765 |
92 | 31F | 0.8763 |
93 | 5EZ | 0.8742 |
94 | ZEA | 0.8740 |
95 | STL | 0.8739 |
96 | 8M5 | 0.8735 |
97 | C17 | 0.8731 |
98 | LMZ | 0.8729 |
99 | 8BD | 0.8725 |
100 | CWP | 0.8724 |
101 | CJN | 0.8718 |
102 | E98 | 0.8717 |
103 | F1V | 0.8713 |
104 | IW4 | 0.8712 |
105 | 65W | 0.8710 |
106 | WA2 | 0.8702 |
107 | EEY | 0.8702 |
108 | X8I | 0.8692 |
109 | FZB | 0.8686 |
110 | 91F | 0.8685 |
111 | E92 | 0.8679 |
112 | XZ1 | 0.8678 |
113 | 5XM | 0.8673 |
114 | D2S | 0.8672 |
115 | 9D9 | 0.8671 |
116 | 12R | 0.8670 |
117 | SYY | 0.8666 |
118 | 4RG | 0.8664 |
119 | PYV | 0.8655 |
120 | 1UW | 0.8651 |
121 | GYZ | 0.8651 |
122 | HWH | 0.8642 |
123 | 49Z | 0.8640 |
124 | 7FC | 0.8639 |
125 | QEI | 0.8637 |
126 | 6BK | 0.8636 |
127 | 6QX | 0.8635 |
128 | J8D | 0.8632 |
129 | T34 | 0.8614 |
130 | UN4 | 0.8612 |
131 | LI4 | 0.8612 |
132 | P34 | 0.8589 |
133 | ML1 | 0.8589 |
134 | BOG | 0.8584 |
135 | C1Y | 0.8582 |
136 | E8Z | 0.8577 |
137 | 25K | 0.8577 |
138 | MRE | 0.8572 |
139 | BBO | 0.8572 |
140 | NZ4 | 0.8568 |
141 | SE5 | 0.8559 |
142 | 7CS | 0.8557 |
143 | 2UV | 0.8539 |
144 | 340 | 0.8521 |
This union binding pocket(no: 1) in the query (biounit: 5lyh.bio2) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6W65 | T9D | 21.7617 |
This union binding pocket(no: 2) in the query (biounit: 5lyh.bio1) has 38 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6W65 | T9D | 21.7617 |
2 | 6W65 | T9D | 21.7617 |