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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 101 families. | |||||
1 | 6Y3W | - | LYS ARG ARG ARG LYS SEP CYS GLN ALA NH2 O85 | n/a | n/a |
2 | 6HKB | - | ALA GLU GLY PHE PRO ALA TPO VAL | n/a | n/a |
3 | 6FI5 | Kd = 3 uM | THR PRO SEP LEU PRO DAL 60H | n/a | n/a |
4 | 5BTV | Kd = 140 uM | GLY SEP LEU GLY | n/a | n/a |
5 | 6W0L | - | ALA ARG VAL SER MET ARG ARG MET SEP ASN | n/a | n/a |
6 | 6XWD | Kd = 2.18 uM | ASN LYS ASN ALA ASN SEP SER PRO VAL | n/a | n/a |
7 | 4Y32 | ic50 = 90.1 uM | ARG THR PRO SEP LEU PRO THR 49F | n/a | n/a |
8 | 4Y5I | ic50 = 301.3 uM | ACE ARG THR PRO SEP LEU PRO THR PIP | n/a | n/a |
9 | 6FBB | - | SER ARG SEP SER PRO | n/a | n/a |
10 | 5N5W | - | 8OE | C11 H8 Cl2 N2 O | c1cc(ccc1N.... |
11 | 6FBY | Kd = 9.3 uM | ACE ARG THR PRO SEP LEU PRO GLY D4H | n/a | n/a |
12 | 6Y3M | - | GLN SER TYR TPO VAL | n/a | n/a |
13 | 6HHP | Kd = 32 nM | ALA GLU GLY PHE PRO ALA TPO VAL | n/a | n/a |
14 | 4DHS | - | Y03 | C14 H12 Cl2 N O5 P | c1ccc(c(c1.... |
15 | 6Y3S | - | ASN ALA ARG SER ALA SEP PHE SER GLN GLY | n/a | n/a |
16 | 6GHP | - | ACE LYS ARG ARG LYS SEP VAL | n/a | n/a |
17 | 4DHO | - | Y09 | C15 H16 N O6 P | COc1cccc(c.... |
18 | 6Y8A | - | ARG SER LEU SEP ALA PRO GLY ASN | n/a | n/a |
19 | 6Y8E | - | ARG SER PHE SEP GLU PRO PHE GLY | n/a | n/a |
20 | 3IQV | Kd = 6.6 uM | FSC | C36 H56 O12 | C[C@@H]1[C.... |
21 | 4IEA | Kd = 346 nM | ARG SER ALA SEP GLU PRO SER LEU | n/a | n/a |
22 | 6HN2 | - | ALA GLU GLY PHE PRO ALA TPO VAL | n/a | n/a |
23 | 6Y58 | Kd = 15.8 uM | VAL TYR ARG SER LEU SEP PHE GLU | n/a | n/a |
24 | 6FAW | Kd = 2.7 uM | ACE ARG THR PRO SEP LEU PRO GLY D3K | n/a | n/a |
25 | 5N75 | - | ARG SER HIS SEP SER PRO ALA SER LEU GLN | n/a | n/a |
26 | 4DHN | - | 0KC | C13 H18 N O5 P | c1ccc(c(c1.... |
27 | 3MHR | - | ARG ALA HIS SEP SER PRO ALA SER LEU GLN | n/a | n/a |
28 | 4DHP | - | Y07 | C15 H12 Cl F3 N O5 P | c1ccc(c(c1.... |
29 | 3LW1 | Kd = 16.3 uM | PHE LYS TPO GLU GLY PRO ASP SER ASP | n/a | n/a |
30 | 3SP5 | Kd = 0.56 uM | LYS ARG ARG LYS SEP VAL | n/a | n/a |
31 | 4DHU | - | 0KH | C14 H12 Cl2 N O5 P | c1ccc(c(c1.... |
32 | 6HMT | Kd = 92 nM | ALA GLU GLY PHE PRO ALA TPO VAL | n/a | n/a |
33 | 6Y1D | - | LYS ARG ARG ARG LYS SEP CYS GLN ALA NH2 | n/a | n/a |
34 | 6XY5 | - | LYS ARG ARG ARG LYS SEP CYS GLN ALA O4E | n/a | n/a |
35 | 3O8I | - | M1T | C7 H14 O4 | COCC(=O)CC.... |
36 | 6Y18 | - | LYS ARG ARG ARG LYS SEP CYS GLN ALA O68 | n/a | n/a |
37 | 6TJM | - | NE5 | C24 H16 N2 O8 | c1ccc(cc1).... |
38 | 5OEH | - | 9SZ | C42 H32 O8 P2 | c1ccc2c(c1.... |
39 | 4DHT | - | 0KG | C14 H20 N O5 P | c1ccc(c(c1.... |
40 | 6HKF | - | ALA GLU GLY PHE PRO ALA TPO VAL | n/a | n/a |
41 | 6Y3O | - | ARG LYS LEU SEP LEU GLN GLU ARG | n/a | n/a |
42 | 6Y8D | - | VAL GLU HIS SEP LEU ASP ASN LYS | n/a | n/a |
43 | 5LU1 | - | ARG ARG ALA SEP ALA PRO LEU PRO | n/a | n/a |
44 | 3IQJ | Kd = 7.5 uM | GLN ARG SER THR SEP THR PRO ASN VAL HIS | n/a | n/a |
45 | 4FR3 | Kd = 0.07 uM | 0V4 | C27 H44 O8 | C[C@@H]1[C.... |
46 | 5HF3 | Kd = 13.4 uM | ACE ARG THR PRO SEP LEU PRO THR 60H | n/a | n/a |
47 | 5N5R | - | NV1 | C13 H20 N2 O | Cc1cccc(c1.... |
48 | 4DHM | - | 0KB | C15 H13 F3 N O5 P | c1ccc(c(c1.... |
49 | 4DAT | - | SER SER PHE TYR PRO SEP ALA GLU GLY | n/a | n/a |
50 | 6Y8B | - | TYR ASP LEU SEP LEU PRO PHE PRO | n/a | n/a |
51 | 6FI4 | Kd = 2.2 uM | PRO SEP LEU PRO DVA 60H | n/a | n/a |
52 | 3IQU | - | GLN ARG SER THR SEP THR | n/a | n/a |
53 | 4DHQ | - | Y06 | C14 H13 Cl N O5 P | c1ccc(c(c1.... |
54 | 4DHR | - | Y04 | C14 H13 Cl N O5 P | c1ccc(c(c1.... |
55 | 4Y3B | ic50 = 90.1 uM | 49F | C7 H15 N O | COCC[C@@H].... |
56 | 5N5T | - | SER HIS SEP SER PRO ALA SER LEU | n/a | n/a |
57 | 6HMU | - | ALA GLU GLY PHE PRO ALA TPO VAL | n/a | n/a |
58 | 6XXC | - | LYS ARG ARG ARG LYS SEP CYS GLN ALA O3W | n/a | n/a |
59 | 6FBW | Kd = 16.5 uM | ARG THR PRO SEP LEU PRO GLY D4K | n/a | n/a |
60 | 6FAV | Kd = 4.7 uM | ACE ARG THR PRO SEP LEU PRO GLY D3Q | n/a | n/a |
61 | 5MXO | - | FSC | C36 H56 O12 | C[C@@H]1[C.... |
62 | 6TL3 | - | NJW | C24 H17 N3 O7 | c1ccc(cc1).... |
63 | 6FAU | Kd = 3.6 uM | ACE ARG THR PRO SEP LEU PRO GLY D3W | n/a | n/a |
64 | 1QJB | Ki = 416 nM | ALA ARG SER HIS SEP TYR PRO ALA | n/a | n/a |
65 | 6FNA | - | DWE | C50 H66 N6 O20 P2 | c1ccc(c(c1.... |
66 | 4N84 | Kd = 41 nM | GLY MKD LEU ASP MKD LEU ASP LEU ALA SER | n/a | n/a |
67 | 1QJA | Kd = 416 nM | ARG LEU TYR HIS SEP LEU PRO ALA | n/a | n/a |
68 | 6FNC | - | DWK | C40 H48 N4 O15 P2 | c1ccc(c(c1.... |
69 | 6FN9 | ic50 = 284 uM | DW8 | C27 H38 N3 O10 P | CCCNC(=O)C.... |
70 | 2C1N | - | ALA ARG LYS SEP THR GLY GLY LYS | n/a | n/a |
71 | 2V7D | Kd = 261 nM | LYS SER ALA TPO THR THR VAL MET ASN PRO | n/a | n/a |
72 | 6FNB | - | DWQ | C59 H84 N6 O22 P2 | c1ccc(c(c1.... |
73 | 3NKX | Kd = 7.5 uM | GLN ARG SER THR SEP THR PRO ASN VAL HIS | n/a | n/a |
74 | 2BR9 | - | ARG ARG GLN ARG SEP ALA PRO | n/a | n/a |
75 | 2C63 | - | ARG ALA ILE SEP LEU PRO | n/a | n/a |
76 | 5NWI | Kd = 0.69 uM | TYR PHE SER SEP ASN | n/a | n/a |
77 | 1O9D | Kd = 2.5 uM | GLN SER TYR TPO VAL | n/a | n/a |
78 | 5NWJ | - | HIS LEU TYR PHE SER SEP ASN | n/a | n/a |
79 | 3E6Y | Kd = 2.5 uM | CW1 | C34 H52 O12 | C[C@@H]1[C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 70 families. | |||||
1 | 6Y3W | - | LYS ARG ARG ARG LYS SEP CYS GLN ALA NH2 O85 | n/a | n/a |
2 | 6HKB | - | ALA GLU GLY PHE PRO ALA TPO VAL | n/a | n/a |
3 | 6FI5 | Kd = 3 uM | THR PRO SEP LEU PRO DAL 60H | n/a | n/a |
4 | 5BTV | Kd = 140 uM | GLY SEP LEU GLY | n/a | n/a |
5 | 6W0L | - | ALA ARG VAL SER MET ARG ARG MET SEP ASN | n/a | n/a |
6 | 6XWD | Kd = 2.18 uM | ASN LYS ASN ALA ASN SEP SER PRO VAL | n/a | n/a |
7 | 4Y32 | ic50 = 90.1 uM | ARG THR PRO SEP LEU PRO THR 49F | n/a | n/a |
8 | 4Y5I | ic50 = 301.3 uM | ACE ARG THR PRO SEP LEU PRO THR PIP | n/a | n/a |
9 | 6FBB | - | SER ARG SEP SER PRO | n/a | n/a |
10 | 5N5W | - | 8OE | C11 H8 Cl2 N2 O | c1cc(ccc1N.... |
11 | 6FBY | Kd = 9.3 uM | ACE ARG THR PRO SEP LEU PRO GLY D4H | n/a | n/a |
12 | 6Y3M | - | GLN SER TYR TPO VAL | n/a | n/a |
13 | 6HHP | Kd = 32 nM | ALA GLU GLY PHE PRO ALA TPO VAL | n/a | n/a |
14 | 4DHS | - | Y03 | C14 H12 Cl2 N O5 P | c1ccc(c(c1.... |
15 | 6Y3S | - | ASN ALA ARG SER ALA SEP PHE SER GLN GLY | n/a | n/a |
16 | 6GHP | - | ACE LYS ARG ARG LYS SEP VAL | n/a | n/a |
17 | 4DHO | - | Y09 | C15 H16 N O6 P | COc1cccc(c.... |
18 | 6Y8A | - | ARG SER LEU SEP ALA PRO GLY ASN | n/a | n/a |
19 | 6Y8E | - | ARG SER PHE SEP GLU PRO PHE GLY | n/a | n/a |
20 | 3IQV | Kd = 6.6 uM | FSC | C36 H56 O12 | C[C@@H]1[C.... |
21 | 4IEA | Kd = 346 nM | ARG SER ALA SEP GLU PRO SER LEU | n/a | n/a |
22 | 6HN2 | - | ALA GLU GLY PHE PRO ALA TPO VAL | n/a | n/a |
23 | 6Y58 | Kd = 15.8 uM | VAL TYR ARG SER LEU SEP PHE GLU | n/a | n/a |
24 | 6FAW | Kd = 2.7 uM | ACE ARG THR PRO SEP LEU PRO GLY D3K | n/a | n/a |
25 | 5N75 | - | ARG SER HIS SEP SER PRO ALA SER LEU GLN | n/a | n/a |
26 | 4DHN | - | 0KC | C13 H18 N O5 P | c1ccc(c(c1.... |
27 | 3MHR | - | ARG ALA HIS SEP SER PRO ALA SER LEU GLN | n/a | n/a |
28 | 4DHP | - | Y07 | C15 H12 Cl F3 N O5 P | c1ccc(c(c1.... |
29 | 3LW1 | Kd = 16.3 uM | PHE LYS TPO GLU GLY PRO ASP SER ASP | n/a | n/a |
30 | 3SP5 | Kd = 0.56 uM | LYS ARG ARG LYS SEP VAL | n/a | n/a |
31 | 4DHU | - | 0KH | C14 H12 Cl2 N O5 P | c1ccc(c(c1.... |
32 | 6HMT | Kd = 92 nM | ALA GLU GLY PHE PRO ALA TPO VAL | n/a | n/a |
33 | 6Y1D | - | LYS ARG ARG ARG LYS SEP CYS GLN ALA NH2 | n/a | n/a |
34 | 6XY5 | - | LYS ARG ARG ARG LYS SEP CYS GLN ALA O4E | n/a | n/a |
35 | 3O8I | - | M1T | C7 H14 O4 | COCC(=O)CC.... |
36 | 6Y18 | - | LYS ARG ARG ARG LYS SEP CYS GLN ALA O68 | n/a | n/a |
37 | 6TJM | - | NE5 | C24 H16 N2 O8 | c1ccc(cc1).... |
38 | 5OEH | - | 9SZ | C42 H32 O8 P2 | c1ccc2c(c1.... |
39 | 4DHT | - | 0KG | C14 H20 N O5 P | c1ccc(c(c1.... |
40 | 6HKF | - | ALA GLU GLY PHE PRO ALA TPO VAL | n/a | n/a |
41 | 6Y3O | - | ARG LYS LEU SEP LEU GLN GLU ARG | n/a | n/a |
42 | 6Y8D | - | VAL GLU HIS SEP LEU ASP ASN LYS | n/a | n/a |
43 | 5LU1 | - | ARG ARG ALA SEP ALA PRO LEU PRO | n/a | n/a |
44 | 3IQJ | Kd = 7.5 uM | GLN ARG SER THR SEP THR PRO ASN VAL HIS | n/a | n/a |
45 | 4FR3 | Kd = 0.07 uM | 0V4 | C27 H44 O8 | C[C@@H]1[C.... |
46 | 5HF3 | Kd = 13.4 uM | ACE ARG THR PRO SEP LEU PRO THR 60H | n/a | n/a |
47 | 5N5R | - | NV1 | C13 H20 N2 O | Cc1cccc(c1.... |
48 | 4DHM | - | 0KB | C15 H13 F3 N O5 P | c1ccc(c(c1.... |
49 | 4DAT | - | SER SER PHE TYR PRO SEP ALA GLU GLY | n/a | n/a |
50 | 6Y8B | - | TYR ASP LEU SEP LEU PRO PHE PRO | n/a | n/a |
51 | 6FI4 | Kd = 2.2 uM | PRO SEP LEU PRO DVA 60H | n/a | n/a |
52 | 3IQU | - | GLN ARG SER THR SEP THR | n/a | n/a |
53 | 4DHQ | - | Y06 | C14 H13 Cl N O5 P | c1ccc(c(c1.... |
54 | 4DHR | - | Y04 | C14 H13 Cl N O5 P | c1ccc(c(c1.... |
55 | 4Y3B | ic50 = 90.1 uM | 49F | C7 H15 N O | COCC[C@@H].... |
56 | 5N5T | - | SER HIS SEP SER PRO ALA SER LEU | n/a | n/a |
57 | 6HMU | - | ALA GLU GLY PHE PRO ALA TPO VAL | n/a | n/a |
58 | 6XXC | - | LYS ARG ARG ARG LYS SEP CYS GLN ALA O3W | n/a | n/a |
59 | 6FBW | Kd = 16.5 uM | ARG THR PRO SEP LEU PRO GLY D4K | n/a | n/a |
60 | 6FAV | Kd = 4.7 uM | ACE ARG THR PRO SEP LEU PRO GLY D3Q | n/a | n/a |
61 | 5MXO | - | FSC | C36 H56 O12 | C[C@@H]1[C.... |
62 | 6TL3 | - | NJW | C24 H17 N3 O7 | c1ccc(cc1).... |
63 | 6FAU | Kd = 3.6 uM | ACE ARG THR PRO SEP LEU PRO GLY D3W | n/a | n/a |
64 | 1QJB | Ki = 416 nM | ALA ARG SER HIS SEP TYR PRO ALA | n/a | n/a |
65 | 6FNA | - | DWE | C50 H66 N6 O20 P2 | c1ccc(c(c1.... |
66 | 4N84 | Kd = 41 nM | GLY MKD LEU ASP MKD LEU ASP LEU ALA SER | n/a | n/a |
67 | 1QJA | Kd = 416 nM | ARG LEU TYR HIS SEP LEU PRO ALA | n/a | n/a |
68 | 6FNC | - | DWK | C40 H48 N4 O15 P2 | c1ccc(c(c1.... |
69 | 6FN9 | ic50 = 284 uM | DW8 | C27 H38 N3 O10 P | CCCNC(=O)C.... |
70 | 2C1N | - | ALA ARG LYS SEP THR GLY GLY LYS | n/a | n/a |
71 | 2V7D | Kd = 261 nM | LYS SER ALA TPO THR THR VAL MET ASN PRO | n/a | n/a |
72 | 6FNB | - | DWQ | C59 H84 N6 O22 P2 | c1ccc(c(c1.... |
73 | 3NKX | Kd = 7.5 uM | GLN ARG SER THR SEP THR PRO ASN VAL HIS | n/a | n/a |
74 | 2BR9 | - | ARG ARG GLN ARG SEP ALA PRO | n/a | n/a |
75 | 2C63 | - | ARG ALA ILE SEP LEU PRO | n/a | n/a |
76 | 5NWI | Kd = 0.69 uM | TYR PHE SER SEP ASN | n/a | n/a |
77 | 1O9D | Kd = 2.5 uM | GLN SER TYR TPO VAL | n/a | n/a |
78 | 5NWJ | - | HIS LEU TYR PHE SER SEP ASN | n/a | n/a |
79 | 3E6Y | Kd = 2.5 uM | CW1 | C34 H52 O12 | C[C@@H]1[C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NV1 | 1 | 1 |
No: | Ligand | Similarity coefficient |
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