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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 1331 families. | |||||
1 | 5I7Y | Kd = 52 nM | 69G | C20 H21 N3 O2 | C/C=C/CN1C.... |
2 | 4UIW | ic50 = 0.00000001 M | H1B | C22 H22 F3 N3 O3 S2 | CCN1C=C(c2.... |
3 | 4UIV | ic50 = 0.00000001 M | XZB | C21 H20 F3 N3 O3 S2 | CN1C=C(c2c.... |
4 | 5JI8 | Kd = 23.4 uM | 6KT | C8 H7 N3 O S | c1cc2c(cc1.... |
5 | 5MKY | ic50 = 2 uM | I0D | C15 H17 Cl N4 O | CN1CCc2c(c.... |
6 | 4UIU | ic50 = 0.00000001 M | TVU | C22 H24 N2 O6 S2 | CN1C=C(c2c.... |
7 | 4UIT | ic50 = 0.00000001 M | N1D | C22 H25 N3 O6 S2 | CN1C=C(c2c.... |
8 | 5I40 | ic50 = 13.7 uM | 67N | C8 H8 N2 O | CN1C=Cc2cc.... |
9 | 5I7X | Kd = 53 nM | 67B | C17 H17 N3 O2 | CN1C=C(c2c.... |
10 | 6V1B | Kd = 37 nM | H1B | C22 H22 F3 N3 O3 S2 | CCN1C=C(c2.... |
11 | 6V0X | Kd = 277 uM | B49 | C22 H27 F N4 O2 | CCN(CC)CCN.... |
12 | 4XY8 | Kd = 397 nM | 43U | C12 H10 Br N5 O | COc1ccc(cc.... |
13 | 5IGM | Kd = 41.7 nM | BMF | C17 H20 N6 O4 S | CCOC(=O)Nc.... |
14 | 4Z6H | Kd = 612 nM | 4L2 | C16 H18 N2 O2 | CC1=CC(=O).... |
15 | 6HM0 | Kd = 73 nM | GBW | C50 H64 N8 O9 S | Cc1c(scn1).... |
16 | 5F1H | Kd = 14.1 nM | 5U6 | C20 H23 N3 O3 | CN1C=C(c2c.... |
17 | 5F1L | ic50 = 21 nM | 5U2 | C19 H24 N2 O4 | CC1=CC(=CN.... |
18 | 5F25 | Kd = 9.1 uM | 5TU | C14 H14 N2 O2 | CC1=CC(=CN.... |
19 | 4Z6I | - | 4L3 | C27 H31 N3 O4 | CC1=CC(=O).... |
20 | 6V0S | Kd = 16000 nM | EAE | C13 H15 N O2 S | CCN1c2cc(c.... |
21 | 5EU1 | Kd = 15.4 nM | 5SW | C20 H23 N3 O3 | CN1C=C(c2c.... |
22 | 6V14 | Kd = 82 nM | QMG | C20 H19 N3 O2 | Cc1ccc(cc1.... |
23 | 5F2P | Kd = 37.5 uM | 5TY | C10 H12 N4 O | CN1C=Cc2c(.... |
24 | 6V1E | Kd = 121 nM | 5SW | C20 H23 N3 O3 | CN1C=C(c2c.... |
25 | 6V17 | Kd = 148 nM | H1B | C22 H22 F3 N3 O3 S2 | CCN1C=C(c2.... |
26 | 6V0Q | Kd = 4200 nM | EAE | C13 H15 N O2 S | CCN1c2cc(c.... |
27 | 6V1H | Kd = 114 nM | BMF | C17 H20 N6 O4 S | CCOC(=O)Nc.... |
28 | 6V16 | Kd = 556 nM | QMG | C20 H19 N3 O2 | Cc1ccc(cc1.... |
29 | 6V1F | Kd = 418 nM | 5U6 | C20 H23 N3 O3 | CN1C=C(c2c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 5I7Y | Kd = 52 nM | 69G | C20 H21 N3 O2 | C/C=C/CN1C.... |
2 | 4UIW | ic50 = 0.00000001 M | H1B | C22 H22 F3 N3 O3 S2 | CCN1C=C(c2.... |
3 | 4UIV | ic50 = 0.00000001 M | XZB | C21 H20 F3 N3 O3 S2 | CN1C=C(c2c.... |
4 | 5JI8 | Kd = 23.4 uM | 6KT | C8 H7 N3 O S | c1cc2c(cc1.... |
5 | 5MKY | ic50 = 2 uM | I0D | C15 H17 Cl N4 O | CN1CCc2c(c.... |
6 | 4UIU | ic50 = 0.00000001 M | TVU | C22 H24 N2 O6 S2 | CN1C=C(c2c.... |
7 | 4UIT | ic50 = 0.00000001 M | N1D | C22 H25 N3 O6 S2 | CN1C=C(c2c.... |
8 | 5I40 | ic50 = 13.7 uM | 67N | C8 H8 N2 O | CN1C=Cc2cc.... |
9 | 5I7X | Kd = 53 nM | 67B | C17 H17 N3 O2 | CN1C=C(c2c.... |
10 | 6V1B | Kd = 37 nM | H1B | C22 H22 F3 N3 O3 S2 | CCN1C=C(c2.... |
11 | 6V0X | Kd = 277 uM | B49 | C22 H27 F N4 O2 | CCN(CC)CCN.... |
12 | 4XY8 | Kd = 397 nM | 43U | C12 H10 Br N5 O | COc1ccc(cc.... |
13 | 5IGM | Kd = 41.7 nM | BMF | C17 H20 N6 O4 S | CCOC(=O)Nc.... |
14 | 4Z6H | Kd = 612 nM | 4L2 | C16 H18 N2 O2 | CC1=CC(=O).... |
15 | 6HM0 | Kd = 73 nM | GBW | C50 H64 N8 O9 S | Cc1c(scn1).... |
16 | 5F1H | Kd = 14.1 nM | 5U6 | C20 H23 N3 O3 | CN1C=C(c2c.... |
17 | 5F1L | ic50 = 21 nM | 5U2 | C19 H24 N2 O4 | CC1=CC(=CN.... |
18 | 5F25 | Kd = 9.1 uM | 5TU | C14 H14 N2 O2 | CC1=CC(=CN.... |
19 | 4Z6I | - | 4L3 | C27 H31 N3 O4 | CC1=CC(=O).... |
20 | 6V0S | Kd = 16000 nM | EAE | C13 H15 N O2 S | CCN1c2cc(c.... |
21 | 5EU1 | Kd = 15.4 nM | 5SW | C20 H23 N3 O3 | CN1C=C(c2c.... |
22 | 6V14 | Kd = 82 nM | QMG | C20 H19 N3 O2 | Cc1ccc(cc1.... |
23 | 5F2P | Kd = 37.5 uM | 5TY | C10 H12 N4 O | CN1C=Cc2c(.... |
24 | 5E3D | Kd = 95 uM | 5JL | C5 H4 N4 O S2 | C12=C(NC(=.... |
25 | 5C87 | - | 4YS | C9 H7 N O | c1ccc2c(c1.... |
26 | 5O4T | - | 9KT | C10 H10 N2 O2 | CN1c2ccccc.... |
27 | 5OV8 | Kd = 18 uM | AXN | C24 H30 N4 O4 S | CC(C)Cc1cc.... |
28 | 5O4S | ic50 = 3.4 uM | 9KW | C24 H28 N4 O5 S | CN1c2cc(c(.... |
29 | 5MWH | Kd = 1.8 uM | UWX | C24 H30 N4 O5 S | CC(C)Cc1cc.... |
30 | 5DY7 | - | 5GT | C9 H7 F3 N2 O | c1cc2c(cc1.... |
31 | 5T4V | ic50 = 60 nM | N48 | C19 H17 N3 O4 S | CC1=CC(=O).... |
32 | 5DYC | - | 5GU | C8 H7 Br N2 O | c1cc2c(cc1.... |
33 | 5O55 | - | 9L5 | C19 H23 N5 O2 | CCN1c2ccc(.... |
34 | 5EQ1 | Kd = 21 uM | BEA | C9 H8 N3 S | Cc1cccc2c1.... |
35 | 5G4S | ic50 = 1 uM | 8VI | C24 H31 N5 O3 | CCN(c1cc2c.... |
36 | 5EWC | - | 5SJ | C12 H14 N2 O3 | CCOC(=O)c1.... |
37 | 5EPR | Kd = 91 uM | 5QY | C9 H10 N2 O | C[C@H]1C(=.... |
38 | 5EVA | - | 5S9 | C11 H9 F2 N3 O | Cn1c(ccn1).... |
39 | 5ETD | - | 5RN | C10 H9 N O | CC(=O)c1c[.... |
40 | 5DYA | - | 5GV | C11 H12 N2 O3 | CC[C@@H]1C.... |
41 | 5EV9 | - | 5SB | C14 H12 N4 O | CC(=O)Nc1c.... |
42 | 5MYG | Kd = 31 nM | LS8 | C19 H17 N3 O4 S | CC1=Cc2cc(.... |
43 | 5MWZ | Kd = 7.1 uM | KGU | C24 H36 N6 O3 | CCN1c2cc(c.... |
44 | 5G4R | ic50 = 7.943 nM | LF1 | C22 H27 N5 O3 | C[C@@H]1CN.... |
45 | 5OWA | Kd = 3.5 uM | B0H | C17 H24 N4 O2 S | Cc1c(oc(n1.... |
46 | 5EM3 | - | 5Q0 | C9 H7 N O | c1cc2c(ccc.... |
47 | 5ETB | Kd = 29 uM | 5RO | C11 H11 N O | Cc1cccc2c1.... |
48 | 4UYE | Kd = 9.54 nM | 9F9 | C22 H26 N4 O3 | CN1c2cc(c(.... |
49 | 5O5F | - | 9LT | C22 H20 F N5 O3 | CCN1c2ccc(.... |
50 | 5O5A | - | 9LN | C22 H21 N5 O3 | CCN1c2ccc(.... |
51 | 5O5H | - | 9LK | C17 H14 Cl N3 O3 | Cc1c(oc(n1.... |
52 | 5C7N | Kd = 0.27 uM | BMF | C17 H20 N6 O4 S | CCOC(=O)Nc.... |
53 | 5EPS | Kd = 38 uM | 5QX | C9 H10 N2 O | CN1c2ccccc.... |
54 | 5MWG | ic50 = 1.7 uM | WGX | C25 H30 N4 O4 S | CN1c2cc(c(.... |
55 | 5D7X | Kd = 15 uM | XZ8 | C14 H13 N3 O2 | CC1=C(C(=O.... |
56 | 6EKQ | Kd = 10.9 uM | B0H | C17 H24 N4 O2 S | Cc1c(oc(n1.... |
57 | 6V1E | Kd = 121 nM | 5SW | C20 H23 N3 O3 | CN1C=C(c2c.... |
58 | 6V17 | Kd = 148 nM | H1B | C22 H22 F3 N3 O3 S2 | CCN1C=C(c2.... |
59 | 6V0Q | Kd = 4200 nM | EAE | C13 H15 N O2 S | CCN1c2cc(c.... |
60 | 6V1H | Kd = 114 nM | BMF | C17 H20 N6 O4 S | CCOC(=O)Nc.... |
61 | 6V16 | Kd = 556 nM | QMG | C20 H19 N3 O2 | Cc1ccc(cc1.... |
62 | 6V1F | Kd = 418 nM | 5U6 | C20 H23 N3 O3 | CN1C=C(c2c.... |
63 | 3RCW | - | MB3 | C5 H9 N O | CN1CCCC1=O |
64 | 5N49 | ic50 = 450 nM | 8LW | C22 H17 N3 O3 | Cc1cc2c(cc.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 5U2 | 1 | 1 |