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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 24 families. | |||||
1 | 4FPE | - | 0H9 | C10 H15 N O4 S | COc1ccc(cc.... |
2 | 4FPH | - | 0V7 | C9 H12 F N O3 S | c1cc(cc(c1.... |
3 | 2JKB | - | SKD | C11 H17 N O8 | CC(=O)N[C@.... |
4 | 4FPF | ic50 = 38.9 uM | JKK | C9 H12 Cl N O3 S | c1cc(cc(c1.... |
5 | 4FOQ | - | TAU | C2 H7 N O3 S | C(CS(=O)(=.... |
6 | 4FPC | - | MFY | C9 H12 Cl N O3 S | c1cc(ccc1C.... |
7 | 4FOY | - | D53 | C9 H13 N O3 S | c1ccc(cc1).... |
8 | 4FPL | - | 7HV | C9 H11 Cl2 N O3 S | c1cc(c(cc1.... |
9 | 4FOW | - | A20 | C3 H9 N O3 S | C(CN)CS(=O.... |
10 | 4FPJ | - | D8I | C10 H15 N O4 S | COc1cccc(c.... |
11 | 4FPK | ic50 = 57.4 uM | IJ1 | C10 H15 N O3 S | Cc1cccc(c1.... |
12 | 4FQ4 | - | IJ4 | C10 H14 F N O3 S | Cc1cc(ccc1.... |
13 | 4FPY | - | 0V8 | C9 H12 Br N O3 S | c1cc(cc(c1.... |
14 | 4FP2 | - | IJ6 | C9 H19 N O3 S | C1CCC(CC1).... |
15 | 2VW1 | Ki = 0.3 mM | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 18 families. | |||||
1 | 4FPE | - | 0H9 | C10 H15 N O4 S | COc1ccc(cc.... |
2 | 4FPH | - | 0V7 | C9 H12 F N O3 S | c1cc(cc(c1.... |
3 | 4YZ2 | - | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | RB7 | 0.9640 |
2 | IJ6 | 0.9409 |
3 | 3CX | 0.9338 |
4 | 5PV | 0.9273 |
5 | BSA | 0.9247 |
6 | DTB | 0.9168 |
7 | SB9 | 0.9132 |
8 | 5QT | 0.9125 |
9 | P1J | 0.9118 |
10 | SB7 | 0.9116 |
11 | IPL | 0.9113 |
12 | 1Q2 | 0.9060 |
13 | JF5 | 0.9054 |
14 | 0QA | 0.9017 |
15 | FIP | 0.9001 |
16 | BTN | 0.8997 |
17 | OJD | 0.8993 |
18 | 245 | 0.8982 |
19 | HWH | 0.8971 |
20 | HRG | 0.8959 |
21 | ZE7 | 0.8956 |
22 | GHQ | 0.8954 |
23 | HJ1 | 0.8948 |
24 | JON | 0.8947 |
25 | KPV | 0.8943 |
26 | PHQ DAL | 0.8938 |
27 | S8P | 0.8937 |
28 | 5HG | 0.8935 |
29 | 7PJ | 0.8934 |
30 | 0XR | 0.8932 |
31 | ND5 | 0.8932 |
32 | HAR | 0.8930 |
33 | 4TX | 0.8928 |
34 | S0B | 0.8927 |
35 | U55 | 0.8925 |
36 | HL6 | 0.8924 |
37 | NRG | 0.8909 |
38 | HPK | 0.8902 |
39 | PHQ ALA | 0.8899 |
40 | S0A | 0.8897 |
41 | ZEA | 0.8891 |
42 | ZYC | 0.8881 |
43 | IMI | 0.8869 |
44 | 5LI | 0.8864 |
45 | D26 | 0.8863 |
46 | BTQ | 0.8853 |
47 | 1KJ | 0.8853 |
48 | RDV | 0.8851 |
49 | 9J6 | 0.8847 |
50 | IAG | 0.8844 |
51 | N18 | 0.8843 |
52 | BZM | 0.8842 |
53 | STL | 0.8840 |
54 | EMU | 0.8839 |
55 | HPZ | 0.8836 |
56 | 3GZ | 0.8833 |
57 | AX5 | 0.8829 |
58 | FZ3 | 0.8823 |
59 | 00G | 0.8821 |
60 | HPX | 0.8819 |
61 | PW5 | 0.8811 |
62 | N9M | 0.8804 |
63 | XVR | 0.8800 |
64 | IGP | 0.8799 |
65 | 1Q1 | 0.8791 |
66 | IEE | 0.8782 |
67 | J9Y | 0.8778 |
68 | 0OM | 0.8778 |
69 | V15 | 0.8776 |
70 | ALY | 0.8775 |
71 | 49G | 0.8771 |
72 | DNN | 0.8766 |
73 | BTI | 0.8766 |
74 | LZ4 | 0.8759 |
75 | 8CV | 0.8750 |
76 | 0RY | 0.8745 |
77 | AHL | 0.8742 |
78 | WA2 | 0.8729 |
79 | 3KJ | 0.8724 |
80 | HPF | 0.8724 |
81 | KLS | 0.8719 |
82 | DA2 | 0.8717 |
83 | 1A6 | 0.8704 |
84 | 3S9 | 0.8695 |
85 | L12 | 0.8694 |
86 | TPM | 0.8691 |
87 | D8B | 0.8682 |
88 | LJ1 | 0.8680 |
89 | SAZ | 0.8676 |
90 | D25 | 0.8667 |
91 | OH7 | 0.8641 |
92 | 2MR | 0.8634 |
93 | TG6 | 0.8633 |
94 | 5KJ | 0.8631 |
95 | M5P | 0.8615 |
96 | EXY | 0.8590 |
97 | XRS | 0.8582 |
98 | 5UF | 0.8579 |
99 | 27K | 0.8574 |
100 | QUB | 0.8571 |
101 | MLY | 0.8539 |
102 | LVP | 0.8531 |
103 | RHC | 0.8531 |
This union binding pocket(no: 1) in the query (biounit: 2vw1.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |