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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 214 families. | |||||
1 | 4QBZ | - | D80 | C14 H15 N3 O | CCCCc1nc2c.... |
2 | 5WYZ | Kd = 21 nM | 7VF | C16 H13 N O2 | Cc1cc(ccc1.... |
3 | 4R07 | Kd = 55 uM | URI | C9 H12 N2 O6 | C1=CN(C(=O.... |
4 | 3W3J | - | C09 | C13 H14 N4 O | CCOCc1[nH].... |
5 | 4QC0 | - | XG1 | C14 H16 N4 | CCCCn1cc2c.... |
6 | 6ZJZ | ic50 = 120 nM | QLH | C16 H15 F3 N4 | c1cc2c(ccc.... |
7 | 3WN4 | - | D87 | C15 H16 N2 O | CCCCc1cc2c.... |
8 | 3W3K | - | L07 | C13 H13 N3 S | CCCc1nc2c(.... |
9 | 5AWB | - | M0A | C22 H25 N5 | CCCCc1nc2c.... |
10 | 4R08 | Kd = 55 uM | URI | C9 H12 N2 O6 | C1=CN(C(=O.... |
11 | 3W3L | - | RX8 | C17 H22 N4 O2 | CCOCc1nc2c.... |
12 | 5WYX | Kd = 0.22 uM | CU8 | C14 H12 N4 O | Cc1cccc(c1.... |
13 | 3W3N | - | RX8 | C17 H22 N4 O2 | CCOCc1nc2c.... |
14 | 4R0A | Kd = 55 uM | URI | C9 H12 N2 O6 | C1=CN(C(=O.... |
15 | 5AWD | - | IDQ | C22 H25 N5 | CCCCc1nc2c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 181 families. | |||||
1 | 4QBZ | - | D80 | C14 H15 N3 O | CCCCc1nc2c.... |
2 | 5WYZ | Kd = 21 nM | 7VF | C16 H13 N O2 | Cc1cc(ccc1.... |
3 | 4R07 | Kd = 55 uM | URI | C9 H12 N2 O6 | C1=CN(C(=O.... |
4 | 3W3J | - | C09 | C13 H14 N4 O | CCOCc1[nH].... |
5 | 4QC0 | - | XG1 | C14 H16 N4 | CCCCn1cc2c.... |
6 | 6ZJZ | ic50 = 120 nM | QLH | C16 H15 F3 N4 | c1cc2c(ccc.... |
7 | 3WN4 | - | D87 | C15 H16 N2 O | CCCCc1cc2c.... |
8 | 3W3K | - | L07 | C13 H13 N3 S | CCCc1nc2c(.... |
9 | 5AWB | - | M0A | C22 H25 N5 | CCCCc1nc2c.... |
10 | 4R08 | Kd = 55 uM | URI | C9 H12 N2 O6 | C1=CN(C(=O.... |
11 | 3W3L | - | RX8 | C17 H22 N4 O2 | CCOCc1nc2c.... |
12 | 5WYX | Kd = 0.22 uM | CU8 | C14 H12 N4 O | Cc1cccc(c1.... |
13 | 3W3N | - | RX8 | C17 H22 N4 O2 | CCOCc1nc2c.... |
14 | 4R0A | Kd = 55 uM | URI | C9 H12 N2 O6 | C1=CN(C(=O.... |
15 | 5AWD | - | IDQ | C22 H25 N5 | CCCCc1nc2c.... |
16 | 5GMF | Kd = 1 uM | GMP | C10 H13 N5 O5 | c1nc2c(n1[.... |
17 | 5GMH | Kd = 0.49 uM | RX8 | C17 H22 N4 O2 | CCOCc1nc2c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | QLH | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | LM7 | 0.9164 |
2 | FLF | 0.9111 |
3 | MHD GAL | 0.8940 |
4 | 25V | 0.8932 |
5 | BNY | 0.8906 |
6 | 683 | 0.8894 |
7 | B2X | 0.8852 |
8 | M0Y | 0.8851 |
9 | B2L | 0.8829 |
10 | 67B | 0.8790 |
11 | CJZ | 0.8788 |
12 | CF1 | 0.8781 |
13 | HGH | 0.8745 |
14 | 145 | 0.8727 |
15 | 7M9 | 0.8713 |
16 | 6EN | 0.8712 |
17 | 581 | 0.8688 |
18 | ZT2 | 0.8657 |
19 | BGC BGC | 0.8636 |
20 | NFG | 0.8623 |
21 | E44 | 0.8563 |
This union binding pocket(no: 1) in the query (biounit: 5wyz.bio1) has 86 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5wyz.bio1) has 86 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |