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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 31 families. | |||||
1 | 6H4T | Ki = 0.004 uM | FOW | C25 H26 N6 O | c1ccc2c(c1.... |
2 | 5A7P | - | 6Z1 | C17 H13 N3 O5 | Cc1cc(no1).... |
3 | 5ANQ | ic50 = 3.98 uM | 5YQ | C16 H13 N5 O2 | c1cc(cnc1).... |
4 | 6H4Q | ic50 = 2.06 uM | FO2 | C16 H18 N6 O | CN1CCC(CC1.... |
5 | 2OQ6 | - | OGA | C4 H5 N O5 | C(C(=O)O)N.... |
6 | 2OX0 | - | OGA | C4 H5 N O5 | C(C(=O)O)N.... |
7 | 6H4S | Ki = 0.002 uM | FQE | C27 H33 N7 O | CN(C)CCc1c.... |
8 | 5F3G | ic50 = 0.126 uM | 5UL | C24 H25 Cl N6 O | c1cc(ccc1C.... |
9 | 5A7Q | - | KCH | C12 H10 N2 O3 | c1cc(c(cc1.... |
10 | 6H4P | Ki = 0.003 uM | FQ5 | C23 H23 Cl N6 O | c1cc(cc(c1.... |
11 | 5A7N | - | VAO | C13 H8 N2 O3 | c1cc(c(cc1.... |
12 | 5F3E | ic50 = 0.138 uM | 5UO | C23 H23 Cl N6 O | c1cc(ccc1C.... |
13 | 2GP5 | - | AKG | C5 H6 O5 | C(CC(=O)O).... |
14 | 6H4V | ic50 = 0.613 uM | FQN | C20 H24 N6 O | c1cnc(c2c1.... |
15 | 6H4O | ic50 = 0.128 uM | FQH | C24 H23 F3 N6 O | c1cc(cc(c1.... |
16 | 2OT7 | - | OGA | C4 H5 N O5 | C(C(=O)O)N.... |
17 | 6H4U | - | FO2 | C16 H18 N6 O | CN1CCC(CC1.... |
18 | 5A7S | - | S2X | C14 H12 N2 O4 | CC(=O)Nc1c.... |
19 | 6H4R | Ki = 0.004 nM | FQB | C27 H33 N7 O | CN(C)CCc1c.... |
20 | 4AI9 | - | DZA | C6 H12 N2 O3 | CN(C)NC(=O.... |
21 | 3U4S | Ki = 114 nM | ALA ARG M3L SER CYS GLY GLY LYS 08P | n/a | n/a |
22 | 3PDQ | ic50 = 0.18 uM | KC6 | C14 H14 N4 O3 | c1cnc(cc1C.... |
23 | 5F3C | ic50 = 0.9 uM | 5U8 | C20 H19 F N6 O | CN(CCc1cnn.... |
24 | 5F32 | ic50 = 11.5 uM | 5V7 | C10 H7 N5 O S | c1cnc(c2c1.... |
25 | 4URA | ic50 = 0.00000316 uM | LEL | C8 H6 N4 O2 | c1cnc(cc1C.... |
26 | 5F2S | ic50 = 0.2 uM | 5TZ | C9 H7 N3 O2 S | c1cnc(cc1C.... |
27 | 2YBK | ic50 = 24 uM | 2HG | C5 H8 O5 | C(CC(=O)O).... |
28 | 5TVR | - | AKG | C5 H6 O5 | C(CC(=O)O).... |
29 | 5A80 | - | 9CJ | C21 H18 N2 O5 | COc1cccc(c.... |
30 | 6H4Y | ic50 = 0.077 uM | FO8 | C29 H35 N7 O2 | c1cc(ccc1C.... |
31 | 5A7O | - | 7WH | C15 H14 N2 O5 | COCC(=O)Nc.... |
32 | 6CG1 | - | QC1 | C13 H11 F N2 O2 | c1cc(ccc1C.... |
33 | 5F37 | ic50 = 1.7 uM | N5J | C7 H5 N3 O | c1cncc2c1C.... |
34 | 6H4X | ic50 = 0.131 uM | FNQ | C28 H27 N7 O | c1cc(cnc1).... |
35 | 6CG2 | - | QC2 | C15 H11 N3 O3 | c1cc(cc(c1.... |
36 | 2OQ7 | - | OGA | C4 H5 N O5 | C(C(=O)O)N.... |
37 | 5FPV | - | MMK | C15 H22 N4 O3 | CCN(/C=C/N.... |
38 | 5F3I | ic50 = 0.08 uM | 5UJ | C23 H22 Cl2 N6 O | c1cnc(c2c1.... |
39 | 5KR7 | ic50 = 2.88 uM | 6X9 | C11 H12 N4 O | CCC1=C(Nc2.... |
40 | 4XDO | ic50 = 84 uM | OGA | C4 H5 N O5 | C(C(=O)O)N.... |
41 | 5FP4 | ic50 = 0.251 uM | YC8 | C16 H16 N2 O3 | c1ccc(cc1).... |
42 | 5FP7 | - | YC8 | C16 H16 N2 O3 | c1ccc(cc1).... |
43 | 5F5C | - | 5V3 | C15 H14 N4 O | c1ccc(cc1).... |
44 | 5FP8 | - | AUY | C12 H12 N2 O2 S | Cc1cc(sc1).... |
45 | 5F5A | - | 5V0 | C12 H12 N2 O3 | c1cc(oc1)C.... |
46 | 5FP9 | ic50 = 1.585 uM | 4SV | C6 H6 N2 O2 | c1cncc(c1C.... |
47 | 5FPA | - | N5J | C7 H5 N3 O | c1cncc2c1C.... |
48 | 5FPB | - | HA6 | C10 H7 N5 O2 | c1cncc2c1C.... |
49 | 4HON | - | THR ALA ARG M3L SER THR GLY GLY LYS ALA | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 28 families. | |||||
1 | 6H4T | Ki = 0.004 uM | FOW | C25 H26 N6 O | c1ccc2c(c1.... |
2 | 5A7P | - | 6Z1 | C17 H13 N3 O5 | Cc1cc(no1).... |
3 | 5ANQ | ic50 = 3.98 uM | 5YQ | C16 H13 N5 O2 | c1cc(cnc1).... |
4 | 6H4Q | ic50 = 2.06 uM | FO2 | C16 H18 N6 O | CN1CCC(CC1.... |
5 | 2OQ6 | - | OGA | C4 H5 N O5 | C(C(=O)O)N.... |
6 | 2OX0 | - | OGA | C4 H5 N O5 | C(C(=O)O)N.... |
7 | 6H4S | Ki = 0.002 uM | FQE | C27 H33 N7 O | CN(C)CCc1c.... |
8 | 5F3G | ic50 = 0.126 uM | 5UL | C24 H25 Cl N6 O | c1cc(ccc1C.... |
9 | 5A7Q | - | KCH | C12 H10 N2 O3 | c1cc(c(cc1.... |
10 | 6H4P | Ki = 0.003 uM | FQ5 | C23 H23 Cl N6 O | c1cc(cc(c1.... |
11 | 5A7N | - | VAO | C13 H8 N2 O3 | c1cc(c(cc1.... |
12 | 5F3E | ic50 = 0.138 uM | 5UO | C23 H23 Cl N6 O | c1cc(ccc1C.... |
13 | 2GP5 | - | AKG | C5 H6 O5 | C(CC(=O)O).... |
14 | 6H4V | ic50 = 0.613 uM | FQN | C20 H24 N6 O | c1cnc(c2c1.... |
15 | 6H4O | ic50 = 0.128 uM | FQH | C24 H23 F3 N6 O | c1cc(cc(c1.... |
16 | 2OT7 | - | OGA | C4 H5 N O5 | C(C(=O)O)N.... |
17 | 6H4U | - | FO2 | C16 H18 N6 O | CN1CCC(CC1.... |
18 | 5A7S | - | S2X | C14 H12 N2 O4 | CC(=O)Nc1c.... |
19 | 6H4R | Ki = 0.004 nM | FQB | C27 H33 N7 O | CN(C)CCc1c.... |
20 | 4AI9 | - | DZA | C6 H12 N2 O3 | CN(C)NC(=O.... |
21 | 3U4S | Ki = 114 nM | ALA ARG M3L SER CYS GLY GLY LYS 08P | n/a | n/a |
22 | 3PDQ | ic50 = 0.18 uM | KC6 | C14 H14 N4 O3 | c1cnc(cc1C.... |
23 | 5F3C | ic50 = 0.9 uM | 5U8 | C20 H19 F N6 O | CN(CCc1cnn.... |
24 | 5F32 | ic50 = 11.5 uM | 5V7 | C10 H7 N5 O S | c1cnc(c2c1.... |
25 | 4URA | ic50 = 0.00000316 uM | LEL | C8 H6 N4 O2 | c1cnc(cc1C.... |
26 | 5F2S | ic50 = 0.2 uM | 5TZ | C9 H7 N3 O2 S | c1cnc(cc1C.... |
27 | 2YBK | ic50 = 24 uM | 2HG | C5 H8 O5 | C(CC(=O)O).... |
28 | 5TVR | - | AKG | C5 H6 O5 | C(CC(=O)O).... |
29 | 5A80 | - | 9CJ | C21 H18 N2 O5 | COc1cccc(c.... |
30 | 6H4Y | ic50 = 0.077 uM | FO8 | C29 H35 N7 O2 | c1cc(ccc1C.... |
31 | 5A7O | - | 7WH | C15 H14 N2 O5 | COCC(=O)Nc.... |
32 | 6CG1 | - | QC1 | C13 H11 F N2 O2 | c1cc(ccc1C.... |
33 | 5F37 | ic50 = 1.7 uM | N5J | C7 H5 N3 O | c1cncc2c1C.... |
34 | 6H4X | ic50 = 0.131 uM | FNQ | C28 H27 N7 O | c1cc(cnc1).... |
35 | 6CG2 | - | QC2 | C15 H11 N3 O3 | c1cc(cc(c1.... |
36 | 2OQ7 | - | OGA | C4 H5 N O5 | C(C(=O)O)N.... |
37 | 5FPV | - | MMK | C15 H22 N4 O3 | CCN(/C=C/N.... |
38 | 5F3I | ic50 = 0.08 uM | 5UJ | C23 H22 Cl2 N6 O | c1cnc(c2c1.... |
39 | 3OPT | - | AKG | C5 H6 O5 | C(CC(=O)O).... |
40 | 5KR7 | ic50 = 2.88 uM | 6X9 | C11 H12 N4 O | CCC1=C(Nc2.... |
41 | 4XDO | ic50 = 84 uM | OGA | C4 H5 N O5 | C(C(=O)O)N.... |
42 | 5FP4 | ic50 = 0.251 uM | YC8 | C16 H16 N2 O3 | c1ccc(cc1).... |
43 | 5FP7 | - | YC8 | C16 H16 N2 O3 | c1ccc(cc1).... |
44 | 5F5C | - | 5V3 | C15 H14 N4 O | c1ccc(cc1).... |
45 | 5FP8 | - | AUY | C12 H12 N2 O2 S | Cc1cc(sc1).... |
46 | 5F5A | - | 5V0 | C12 H12 N2 O3 | c1cc(oc1)C.... |
47 | 5FP9 | ic50 = 1.585 uM | 4SV | C6 H6 N2 O2 | c1cncc(c1C.... |
48 | 5FPA | - | N5J | C7 H5 N3 O | c1cncc2c1C.... |
49 | 5FPB | - | HA6 | C10 H7 N5 O2 | c1cncc2c1C.... |
50 | 4HON | - | THR ALA ARG M3L SER THR GLY GLY LYS ALA | n/a | n/a |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 0KG | 0.9071 |
2 | OA5 | 0.9049 |
3 | 9AW | 0.8875 |
4 | FZ8 | 0.8865 |
5 | GYZ | 0.8854 |
6 | 30Z | 0.8826 |
7 | 1VG | 0.8816 |
8 | SAQ | 0.8808 |
9 | BBO | 0.8770 |
10 | 5V3 | 0.8762 |
11 | 97Z | 0.8700 |
12 | PGI | 0.8676 |
13 | SNP | 0.8660 |
14 | 9B2 | 0.8654 |
15 | 7GK | 0.8635 |
16 | Y09 | 0.8633 |
17 | IDE | 0.8619 |
18 | Y03 | 0.8614 |
19 | EXP | 0.8592 |
20 | 2BE | 0.8584 |
21 | RC4 | 0.8532 |
This union binding pocket(no: 1) in the query (biounit: 5fp4.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6IP0 | AKG | 43.7126 |
This union binding pocket(no: 2) in the query (biounit: 5fp4.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |