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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 266 families. | |||||
1 | 5XJD | Kd ~ 300 uM | 87L | C12 H11 N O2 | c1ccc(cc1).... |
2 | 6UYB | Kd = 6.2 uM | QSJ | C20 H20 Cl N O4 | Cc1cc(cc(c.... |
3 | 5DQ8 | Kd = 73 uM | FLF | C14 H10 F3 N O2 | c1ccc(c(c1.... |
4 | 5HGU | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
5 | 6UYC | Kd = 229 nM | QLV | C15 H20 F2 N2 O3 S | COc1c(cc(c.... |
6 | 5DQE | - | 5E4 | C13 H10 Br N O2 | c1ccc(c(c1.... |
7 | 6CDY | - | EY1 | C20 H24 N4 O S | c1cc(ccc1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 220 families. | |||||
1 | 5XJD | Kd ~ 300 uM | 87L | C12 H11 N O2 | c1ccc(cc1).... |
2 | 6UYB | Kd = 6.2 uM | QSJ | C20 H20 Cl N O4 | Cc1cc(cc(c.... |
3 | 5DQ8 | Kd = 73 uM | FLF | C14 H10 F3 N O2 | c1ccc(c(c1.... |
4 | 5HGU | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
5 | 6UYC | Kd = 229 nM | QLV | C15 H20 F2 N2 O3 S | COc1c(cc(c.... |
6 | 5DQE | - | 5E4 | C13 H10 Br N O2 | c1ccc(c(c1.... |
7 | 6CDY | - | EY1 | C20 H24 N4 O S | c1cc(ccc1C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 87L | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 0UT | 0.9344 |
2 | M72 | 0.9215 |
3 | FLC | 0.9178 |
4 | CIT | 0.9166 |
5 | OIA | 0.9161 |
6 | CCB | 0.9148 |
7 | GVQ | 0.9132 |
8 | S2T | 0.9126 |
9 | NZ2 | 0.9123 |
10 | 3VW | 0.9108 |
11 | HCA | 0.9102 |
12 | NBB | 0.9093 |
13 | 60Q | 0.9090 |
14 | 0QW | 0.9077 |
15 | ICT | 0.9076 |
16 | BZQ | 0.9066 |
17 | GTC | 0.9024 |
18 | 1OH | 0.9016 |
19 | 2C0 | 0.9008 |
20 | GLY LEU | 0.9002 |
21 | 791 | 0.8999 |
22 | NQM | 0.8997 |
23 | 1PC | 0.8989 |
24 | YTZ | 0.8983 |
25 | SYJ | 0.8971 |
26 | AVO | 0.8956 |
27 | NZ3 | 0.8955 |
28 | 7Y3 | 0.8943 |
29 | 1AL | 0.8938 |
30 | NLG | 0.8933 |
31 | DY8 | 0.8914 |
32 | OTD | 0.8909 |
33 | ALA LEU | 0.8902 |
34 | TRC | 0.8880 |
35 | XQB | 0.8874 |
36 | 40H | 0.8867 |
37 | A08 | 0.8858 |
38 | 1Z8 | 0.8858 |
39 | 2BQ | 0.8855 |
40 | 7A3 | 0.8849 |
41 | 67Y | 0.8847 |
42 | TQL | 0.8842 |
43 | H3W | 0.8837 |
44 | NCD | 0.8835 |
45 | M5E | 0.8831 |
46 | 256 | 0.8826 |
47 | 0OL | 0.8824 |
48 | EKN | 0.8817 |
49 | 6WT | 0.8814 |
50 | LT8 | 0.8813 |
51 | 1FF | 0.8802 |
52 | 0GY | 0.8796 |
53 | 790 | 0.8796 |
54 | 2OH | 0.8777 |
55 | HHT | 0.8772 |
56 | TRP | 0.8771 |
57 | AOR | 0.8770 |
58 | 27L | 0.8762 |
59 | AIN | 0.8762 |
60 | NLQ | 0.8757 |
61 | AOZ | 0.8748 |
62 | KDO | 0.8747 |
63 | JJQ | 0.8743 |
64 | MYT | 0.8729 |
65 | BZS | 0.8712 |
66 | 0D1 | 0.8710 |
67 | 3MF | 0.8705 |
68 | PDC | 0.8694 |
69 | M74 | 0.8672 |
70 | 787 | 0.8669 |
71 | K3Y | 0.8667 |
72 | 0KK | 0.8663 |
73 | A3M | 0.8662 |
74 | 6HO | 0.8629 |
75 | TRA | 0.8626 |
76 | M75 | 0.8599 |
77 | 0LH | 0.8574 |
78 | YIP | 0.8568 |
79 | NLA | 0.8562 |
80 | IOP | 0.8532 |
This union binding pocket(no: 1) in the query (biounit: 5xjd.bio1) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |