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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 214 families. | |||||
1 | 3OEM | - | OEM | C5 H9 N O4 | CN[C@H](CC.... |
2 | 3OEN | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
3 | 3OEK | - | ASP | C4 H7 N O4 | C([C@@H](C.... |
4 | 4JWY | - | 1N4 | C8 H13 N3 O3 | CCCc1cnn(c.... |
5 | 3OEL | - | DGL | C5 H9 N O4 | C(CC(=O)O).... |
6 | 4JWX | - | 1N4 | C8 H13 N3 O3 | CCCc1cnn(c.... |
7 | 2A5S | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 181 families. | |||||
1 | 3OEM | - | OEM | C5 H9 N O4 | CN[C@H](CC.... |
2 | 3OEN | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
3 | 3OEK | - | ASP | C4 H7 N O4 | C([C@@H](C.... |
4 | 4JWY | - | 1N4 | C8 H13 N3 O3 | CCCc1cnn(c.... |
5 | 3OEL | - | DGL | C5 H9 N O4 | C(CC(=O)O).... |
6 | 4JWX | - | 1N4 | C8 H13 N3 O3 | CCCc1cnn(c.... |
7 | 2A5S | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
8 | 2RC9 | - | 1AC | C4 H7 N O2 | C1CC1(C(=O.... |
9 | 2RC8 | - | DSN | C3 H7 N O3 | C([C@H](C(.... |
10 | 2RC7 | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
11 | 2RCB | - | DSN | C3 H7 N O3 | C([C@H](C(.... |
12 | 2RCA | Kd = 16.4 nM | GLY | C2 H5 N O2 | C(C(=O)O)N |
13 | 1Y20 | Ki = 4.8 uM | 1AC | C4 H7 N O2 | C1CC1(C(=O.... |
14 | 1PB7 | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
15 | 1Y1Z | Ki = 0.831 mM | 192 | C5 H9 N O2 | C1CC(C1)(C.... |
16 | 1PB8 | Ki = 7.02 uM | DSN | C3 H7 N O3 | C([C@H](C(.... |
17 | 1Y1M | Ki = 15.3 mM | AC5 | C6 H11 N O2 | C1CCC(C1)(.... |
18 | 1PBQ | Ki = 0.54 uM | DK1 | C10 H5 Cl2 N O3 | c1c(cc(c2c.... |
19 | 1PB9 | Ki = 241 uM | 4AX | C3 H6 N2 O2 | C1[C@H](C(.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 1N4 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ATH | 0.9254 |
2 | OMD | 0.9234 |
3 | MMA | 0.9128 |
4 | FRU | 0.9104 |
5 | ICT | 0.9104 |
6 | 3C7 | 0.9068 |
7 | CKU | 0.9035 |
8 | AOR | 0.8997 |
9 | XH2 | 0.8985 |
10 | GLO | 0.8976 |
11 | SF6 | 0.8943 |
12 | HQ9 | 0.8943 |
13 | KDO | 0.8911 |
14 | 9KH | 0.8903 |
15 | 8VN | 0.8880 |
16 | SRO | 0.8867 |
17 | PRZ | 0.8861 |
18 | 3R6 | 0.8858 |
19 | AMG | 0.8851 |
20 | SOR | 0.8834 |
21 | CIT | 0.8832 |
22 | SOL | 0.8812 |
23 | CSN | 0.8806 |
24 | 091 | 0.8801 |
25 | 3S6 | 0.8798 |
26 | GLY PRO | 0.8790 |
27 | 9PY | 0.8790 |
28 | TRC | 0.8785 |
29 | DIU | 0.8782 |
30 | NFQ | 0.8779 |
31 | SX1 | 0.8777 |
32 | M3C | 0.8774 |
33 | DNF | 0.8772 |
34 | 5MK | 0.8770 |
35 | EUG | 0.8756 |
36 | NCD | 0.8755 |
37 | GLG | 0.8719 |
38 | CBF | 0.8704 |
39 | GLY ASP | 0.8702 |
40 | GLY MET | 0.8699 |
41 | IPZ | 0.8699 |
42 | JAA | 0.8695 |
43 | NBG | 0.8690 |
44 | MIG | 0.8688 |
45 | F6P | 0.8678 |
46 | GOX | 0.8674 |
47 | 4HM | 0.8671 |
48 | FA3 | 0.8669 |
49 | GLA | 0.8657 |
50 | OTD | 0.8656 |
51 | 2MN | 0.8654 |
52 | DQA | 0.8651 |
53 | NBB | 0.8637 |
54 | 463 | 0.8631 |
55 | SBK | 0.8628 |
56 | ZZ8 | 0.8613 |
57 | N7I | 0.8609 |
58 | 6R8 | 0.8607 |
59 | REL | 0.8594 |
60 | 57O | 0.8593 |
61 | FA1 | 0.8593 |
62 | MWP | 0.8577 |
63 | FUD | 0.8573 |
64 | KDN | 0.8565 |
65 | MIF | 0.8560 |
66 | IN2 | 0.8555 |
67 | QIC | 0.8532 |
68 | MMN | 0.8517 |
This union binding pocket(no: 1) in the query (biounit: 4jwx.bio2) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4jwx.bio2) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4jwx.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |