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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 266 families. | |||||
1 | 5NVX | Kd = 44 nM | 4YY | C26 H33 F N4 O4 S | Cc1c(scn1).... |
2 | 4W9J | Kd = 0.588 uM | 3JH | C30 H43 N5 O5 S | Cc1c(scn1).... |
3 | 6GFZ | Kd = 3080 nM | EXE | C24 H31 F N4 O4 S | Cc1c(scn1).... |
4 | 5NW1 | Kd = 210 nM | 9BH | C27 H36 N4 O4 S | Cc1c(scn1).... |
5 | 5LLI | Kd = 90 nM | 6Z3 | C27 H33 N5 O4 S | Cc1c(scn1).... |
6 | 5NVV | Kd = 105 nM | 9BT | C24 H32 N4 O5 S | Cc1c(scn1).... |
7 | 4W9L | Kd = 9.52 uM | 3JJ | C30 H43 N5 O5 S | Cc1c(scn1).... |
8 | 4W9C | Kd = 22.2 uM | 3JG | C21 H27 N3 O4 | CC(C)(C)CC.... |
9 | 5NW0 | Kd = 128 nM | 9BK | C28 H37 N5 O5 S | Cc1c(scn1).... |
10 | 5NVW | Kd = 132 nM | 9BW | C26 H34 N4 O4 S | Cc1c(scn1).... |
11 | 4W9D | Kd = 10.2 uM | 3JK | C22 H29 N3 O4 | Cc1c(ocn1).... |
12 | 4AWJ | Kd ~ 10000 uM | V6F | C8 H14 N2 O3 | CC(=O)N1C[.... |
13 | 6FMJ | Kd = 0.76 uM | DV5 | C21 H26 N4 O3 S2 | Cc1c(scn1).... |
14 | 4W9I | Kd = 1.1 uM | 3JS | C23 H28 N4 O5 S | Cc1c(scn1).... |
15 | 5NW2 | Kd = 232 nM | 9B8 | C26 H34 N4 O5 S | Cc1c(scn1).... |
16 | 4BKT | Kd = 240 uM | QD0 | C12 H17 N3 O4 | Cc1cc(on1).... |
17 | 4W9K | Kd = 0.291 uM | 3JO | C33 H41 N5 O5 S | Cc1c(scn1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 220 families. | |||||
1 | 5NVX | Kd = 44 nM | 4YY | C26 H33 F N4 O4 S | Cc1c(scn1).... |
2 | 4W9J | Kd = 0.588 uM | 3JH | C30 H43 N5 O5 S | Cc1c(scn1).... |
3 | 6GFZ | Kd = 3080 nM | EXE | C24 H31 F N4 O4 S | Cc1c(scn1).... |
4 | 5NW1 | Kd = 210 nM | 9BH | C27 H36 N4 O4 S | Cc1c(scn1).... |
5 | 5LLI | Kd = 90 nM | 6Z3 | C27 H33 N5 O4 S | Cc1c(scn1).... |
6 | 5NVV | Kd = 105 nM | 9BT | C24 H32 N4 O5 S | Cc1c(scn1).... |
7 | 4W9L | Kd = 9.52 uM | 3JJ | C30 H43 N5 O5 S | Cc1c(scn1).... |
8 | 4W9C | Kd = 22.2 uM | 3JG | C21 H27 N3 O4 | CC(C)(C)CC.... |
9 | 5NW0 | Kd = 128 nM | 9BK | C28 H37 N5 O5 S | Cc1c(scn1).... |
10 | 5NVW | Kd = 132 nM | 9BW | C26 H34 N4 O4 S | Cc1c(scn1).... |
11 | 4W9D | Kd = 10.2 uM | 3JK | C22 H29 N3 O4 | Cc1c(ocn1).... |
12 | 4AWJ | Kd ~ 10000 uM | V6F | C8 H14 N2 O3 | CC(=O)N1C[.... |
13 | 6FMJ | Kd = 0.76 uM | DV5 | C21 H26 N4 O3 S2 | Cc1c(scn1).... |
14 | 4W9I | Kd = 1.1 uM | 3JS | C23 H28 N4 O5 S | Cc1c(scn1).... |
15 | 5NW2 | Kd = 232 nM | 9B8 | C26 H34 N4 O5 S | Cc1c(scn1).... |
16 | 4BKT | Kd = 240 uM | QD0 | C12 H17 N3 O4 | Cc1cc(on1).... |
17 | 4W9K | Kd = 0.291 uM | 3JO | C33 H41 N5 O5 S | Cc1c(scn1).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DV5 | 1 | 1 |
2 | 3JF | 0.696629 | 0.923077 |
3 | 3JU | 0.659091 | 0.909091 |
4 | 3JJ | 0.645833 | 0.909091 |
5 | 3JS | 0.644444 | 0.953125 |
6 | 9BT | 0.631579 | 0.882353 |
7 | 3JH | 0.63 | 0.910448 |
8 | 9BW | 0.625 | 0.895522 |
9 | 9BH | 0.612245 | 0.895522 |
10 | TG0 | 0.608247 | 0.909091 |
11 | 9B8 | 0.6 | 0.833333 |
12 | 4YY | 0.594059 | 0.84507 |
13 | 9BK | 0.592233 | 0.884058 |
14 | 6Z3 | 0.588235 | 0.857143 |
15 | 3JO | 0.574074 | 0.910448 |
16 | EXE | 0.485437 | 0.811594 |
17 | 3JK | 0.436893 | 0.835821 |
18 | X6C | 0.424242 | 0.859375 |
19 | GBW | 0.4 | 0.73494 |
20 | 3JG | 0.4 | 0.820895 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 5nvx.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5nvx.bio2) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 5nvx.bio4) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 5nvx.bio3) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |