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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 4L4D | - | CAM | C10 H16 O | CC1([C@@H].... |
2 | 2QBL | - | CAM | C10 H16 O | CC1([C@@H].... |
3 | 1RE9 | Kd ~ 0.02 uM | DSO | C31 H45 N3 O3 S | CN(C)c1ccc.... |
4 | 3FWG | - | CAM | C10 H16 O | CC1([C@@H].... |
5 | 5IK1 | - | CAM | C10 H16 O | CC1([C@@H].... |
6 | 2QBO | - | CAM | C10 H16 O | CC1([C@@H].... |
7 | 3FWJ | - | CAM | C10 H16 O | CC1([C@@H].... |
8 | 2CP4 | - | CAM | C10 H16 O | CC1([C@@H].... |
9 | 1DZ6 | - | CAM | C10 H16 O | CC1([C@@H].... |
10 | 4L4G | - | CAM | C10 H16 O | CC1([C@@H].... |
11 | 2Z97 | Kd ~ 3 mM | CAM | C10 H16 O | CC1([C@@H].... |
12 | 1DZ9 | - | CAM | C10 H16 O | CC1([C@@H].... |
13 | 1NOO | - | CAH | C10 H16 O2 | CC1([C@H]2.... |
14 | 1IWI | Kd = 22 uM | CAM | C10 H16 O | CC1([C@@H].... |
15 | 3FWI | - | CAM | C10 H16 O | CC1([C@@H].... |
16 | 4CP4 | - | CAM | C10 H16 O | CC1([C@@H].... |
17 | 2A1O | - | CAM | C10 H16 O | CC1([C@@H].... |
18 | 1K2O | - | RFA | C54 H75 F8 N7 Ru | CC1=CC2C3C.... |
19 | 4L4F | - | CAM | C10 H16 O | CC1([C@@H].... |
20 | 1O76 | - | CAM | C10 H16 O | CC1([C@@H].... |
21 | 4L4A | - | CAM | C10 H16 O | CC1([C@@H].... |
22 | 1LWL | Kd ~ 0.02 uM | DSO | C31 H45 N3 O3 S | CN(C)c1ccc.... |
23 | 2CPP | - | CAM | C10 H16 O | CC1([C@@H].... |
24 | 6CPP | - | CAE | C10 H18 | CC1(C2CCC1.... |
25 | 5WK9 | Kd = 32.2 uM | CAM | C10 H16 O | CC1([C@@H].... |
26 | 1YRC | - | CAM | C10 H16 O | CC1([C@@H].... |
27 | 2ZAX | - | CAM | C10 H16 O | CC1([C@@H].... |
28 | 1T87 | - | CAM | C10 H16 O | CC1([C@@H].... |
29 | 2ZWU | - | CAM | C10 H16 O | CC1([C@@H].... |
30 | 2H7R | Kd = 55.9 uM | 1MZ | C4 H7 N2 | Cn1cc[nH+].... |
31 | 2A1M | - | CAM | C10 H16 O | CC1([C@@H].... |
32 | 8CPP | - | TCM | C10 H16 S | CC1([C@@H].... |
33 | 4G3R | - | CAM | C10 H16 O | CC1([C@@H].... |
34 | 1DZ8 | - | CAM | C10 H16 O | CC1([C@@H].... |
35 | 3CPP | - | CAM | C10 H16 O | CC1([C@@H].... |
36 | 4L4C | - | CAM | C10 H16 O | CC1([C@@H].... |
37 | 3CP4 | - | ADM | C10 H16 | C1C2CC3CC1.... |
38 | 2FEU | - | CAM | C10 H16 O | CC1([C@@H].... |
39 | 2GQX | Kd = 1.71 uM | 5CL | C6 H Cl5 | c1c(c(c(c(.... |
40 | 2ZAW | - | CAM | C10 H16 O | CC1([C@@H].... |
41 | 1AKD | - | CAM | C10 H16 O | CC1([C@@H].... |
42 | 5CPP | - | ADO | C10 H14 O | C1C2CC3CC1.... |
43 | 1T88 | - | CAM | C10 H16 O | CC1([C@@H].... |
44 | 3FWF | - | CAM | C10 H16 O | CC1([C@@H].... |
45 | 4L49 | - | CAM | C10 H16 O | CC1([C@@H].... |
46 | 2QBN | - | CAM | C10 H16 O | CC1([C@@H].... |
47 | 1GEB | - | CAM | C10 H16 O | CC1([C@@H].... |
48 | 5CP4 | - | CAM | C10 H16 O | CC1([C@@H].... |
49 | 1T85 | - | CAM | C10 H16 O | CC1([C@@H].... |
50 | 4L4B | - | CAM | C10 H16 O | CC1([C@@H].... |
51 | 1PHE | - | PIY | C9 H8 N2 | c1ccc(cc1).... |
52 | 3L63 | - | CAM | C10 H16 O | CC1([C@@H].... |
53 | 7CPP | - | NCM | C7 H10 O | C1C[C@@H]2.... |
54 | 1J51 | - | TCZ | C6 H3 Cl3 | c1c(cc(cc1.... |
55 | 1T86 | - | CAM | C10 H16 O | CC1([C@@H].... |
56 | 1YRD | - | CAM | C10 H16 O | CC1([C@@H].... |
57 | 2ZWT | - | CAM | C10 H16 O | CC1([C@@H].... |
58 | 1MPW | Kd = 1.1 uM | TMH | C10 H16 | CC1=CC[C@@.... |
59 | 1DZ4 | - | CAM | C10 H16 O | CC1([C@@H].... |
60 | 5WK7 | - | CAH | C10 H16 O2 | CC1([C@H]2.... |
61 | 2QBM | - | CAM | C10 H16 O | CC1([C@@H].... |
62 | 4EK1 | - | CAM | C10 H16 O | CC1([C@@H].... |
63 | 1IWJ | Kd = 79 uM | CAM | C10 H16 O | CC1([C@@H].... |
64 | 6CP4 | - | CAM | C10 H16 O | CC1([C@@H].... |
65 | 4L4E | - | CAM | C10 H16 O | CC1([C@@H].... |
66 | 2A1N | - | CAM | C10 H16 O | CC1([C@@H].... |
67 | 4CPP | - | ADM | C10 H16 | C1C2CC3CC1.... |
68 | 6WE6 | - | CAM | C10 H16 O | CC1([C@@H].... |
69 | 1UYU | - | CAM | C10 H16 O | CC1([C@@H].... |
70 | 6WFL | - | CAH | C10 H16 O2 | CC1([C@H]2.... |
71 | 6WPL | Kd = 0.702 uM | CAH | C10 H16 O2 | CC1([C@H]2.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 4L4D | - | CAM | C10 H16 O | CC1([C@@H].... |
2 | 2QBL | - | CAM | C10 H16 O | CC1([C@@H].... |
3 | 1RE9 | Kd ~ 0.02 uM | DSO | C31 H45 N3 O3 S | CN(C)c1ccc.... |
4 | 3FWG | - | CAM | C10 H16 O | CC1([C@@H].... |
5 | 5IK1 | - | CAM | C10 H16 O | CC1([C@@H].... |
6 | 2QBO | - | CAM | C10 H16 O | CC1([C@@H].... |
7 | 3FWJ | - | CAM | C10 H16 O | CC1([C@@H].... |
8 | 2CP4 | - | CAM | C10 H16 O | CC1([C@@H].... |
9 | 1DZ6 | - | CAM | C10 H16 O | CC1([C@@H].... |
10 | 4L4G | - | CAM | C10 H16 O | CC1([C@@H].... |
11 | 2Z97 | Kd ~ 3 mM | CAM | C10 H16 O | CC1([C@@H].... |
12 | 1DZ9 | - | CAM | C10 H16 O | CC1([C@@H].... |
13 | 1NOO | - | CAH | C10 H16 O2 | CC1([C@H]2.... |
14 | 1IWI | Kd = 22 uM | CAM | C10 H16 O | CC1([C@@H].... |
15 | 3FWI | - | CAM | C10 H16 O | CC1([C@@H].... |
16 | 4CP4 | - | CAM | C10 H16 O | CC1([C@@H].... |
17 | 2A1O | - | CAM | C10 H16 O | CC1([C@@H].... |
18 | 1K2O | - | RFA | C54 H75 F8 N7 Ru | CC1=CC2C3C.... |
19 | 4L4F | - | CAM | C10 H16 O | CC1([C@@H].... |
20 | 1O76 | - | CAM | C10 H16 O | CC1([C@@H].... |
21 | 4L4A | - | CAM | C10 H16 O | CC1([C@@H].... |
22 | 1LWL | Kd ~ 0.02 uM | DSO | C31 H45 N3 O3 S | CN(C)c1ccc.... |
23 | 2CPP | - | CAM | C10 H16 O | CC1([C@@H].... |
24 | 6CPP | - | CAE | C10 H18 | CC1(C2CCC1.... |
25 | 5WK9 | Kd = 32.2 uM | CAM | C10 H16 O | CC1([C@@H].... |
26 | 1YRC | - | CAM | C10 H16 O | CC1([C@@H].... |
27 | 2ZAX | - | CAM | C10 H16 O | CC1([C@@H].... |
28 | 1T87 | - | CAM | C10 H16 O | CC1([C@@H].... |
29 | 2ZWU | - | CAM | C10 H16 O | CC1([C@@H].... |
30 | 2H7R | Kd = 55.9 uM | 1MZ | C4 H7 N2 | Cn1cc[nH+].... |
31 | 2A1M | - | CAM | C10 H16 O | CC1([C@@H].... |
32 | 8CPP | - | TCM | C10 H16 S | CC1([C@@H].... |
33 | 4G3R | - | CAM | C10 H16 O | CC1([C@@H].... |
34 | 1DZ8 | - | CAM | C10 H16 O | CC1([C@@H].... |
35 | 3CPP | - | CAM | C10 H16 O | CC1([C@@H].... |
36 | 4L4C | - | CAM | C10 H16 O | CC1([C@@H].... |
37 | 3CP4 | - | ADM | C10 H16 | C1C2CC3CC1.... |
38 | 2FEU | - | CAM | C10 H16 O | CC1([C@@H].... |
39 | 2GQX | Kd = 1.71 uM | 5CL | C6 H Cl5 | c1c(c(c(c(.... |
40 | 2ZAW | - | CAM | C10 H16 O | CC1([C@@H].... |
41 | 1AKD | - | CAM | C10 H16 O | CC1([C@@H].... |
42 | 5CPP | - | ADO | C10 H14 O | C1C2CC3CC1.... |
43 | 1T88 | - | CAM | C10 H16 O | CC1([C@@H].... |
44 | 3FWF | - | CAM | C10 H16 O | CC1([C@@H].... |
45 | 4L49 | - | CAM | C10 H16 O | CC1([C@@H].... |
46 | 2QBN | - | CAM | C10 H16 O | CC1([C@@H].... |
47 | 1GEB | - | CAM | C10 H16 O | CC1([C@@H].... |
48 | 5CP4 | - | CAM | C10 H16 O | CC1([C@@H].... |
49 | 1T85 | - | CAM | C10 H16 O | CC1([C@@H].... |
50 | 4L4B | - | CAM | C10 H16 O | CC1([C@@H].... |
51 | 1PHE | - | PIY | C9 H8 N2 | c1ccc(cc1).... |
52 | 3L63 | - | CAM | C10 H16 O | CC1([C@@H].... |
53 | 7CPP | - | NCM | C7 H10 O | C1C[C@@H]2.... |
54 | 1J51 | - | TCZ | C6 H3 Cl3 | c1c(cc(cc1.... |
55 | 1T86 | - | CAM | C10 H16 O | CC1([C@@H].... |
56 | 1YRD | - | CAM | C10 H16 O | CC1([C@@H].... |
57 | 2ZWT | - | CAM | C10 H16 O | CC1([C@@H].... |
58 | 1MPW | Kd = 1.1 uM | TMH | C10 H16 | CC1=CC[C@@.... |
59 | 1DZ4 | - | CAM | C10 H16 O | CC1([C@@H].... |
60 | 5WK7 | - | CAH | C10 H16 O2 | CC1([C@H]2.... |
61 | 2QBM | - | CAM | C10 H16 O | CC1([C@@H].... |
62 | 4EK1 | - | CAM | C10 H16 O | CC1([C@@H].... |
63 | 1IWJ | Kd = 79 uM | CAM | C10 H16 O | CC1([C@@H].... |
64 | 6CP4 | - | CAM | C10 H16 O | CC1([C@@H].... |
65 | 4L4E | - | CAM | C10 H16 O | CC1([C@@H].... |
66 | 2A1N | - | CAM | C10 H16 O | CC1([C@@H].... |
67 | 4CPP | - | ADM | C10 H16 | C1C2CC3CC1.... |
68 | 6WE6 | - | CAM | C10 H16 O | CC1([C@@H].... |
69 | 1UYU | - | CAM | C10 H16 O | CC1([C@@H].... |
70 | 6WFL | - | CAH | C10 H16 O2 | CC1([C@H]2.... |
71 | 3NV6 | Kd = 3.1 uM | CAM | C10 H16 O | CC1([C@@H].... |
72 | 4C9O | - | CAM | C10 H16 O | CC1([C@@H].... |
73 | 6WGW | - | CAH | C10 H16 O2 | CC1([C@H]2.... |
74 | 4C9N | - | CAM | C10 H16 O | CC1([C@@H].... |
75 | 3LXI | Kd = 9.1 uM | CAM | C10 H16 O | CC1([C@@H].... |
76 | 4C9P | - | CAM | C10 H16 O | CC1([C@@H].... |
77 | 4C9K | - | CAM | C10 H16 O | CC1([C@@H].... |
78 | 4C9L | - | CAM | C10 H16 O | CC1([C@@H].... |
79 | 6WPL | Kd = 0.702 uM | CAH | C10 H16 O2 | CC1([C@H]2.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | CAE | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 2BN | 1.0000 |
2 | CAM | 0.9750 |
3 | TCM | 0.9520 |
4 | PAV | 0.9354 |
5 | ADM | 0.9291 |
6 | CAH | 0.9230 |
7 | 4PW | 0.9200 |
8 | SVJ | 0.9174 |
9 | QFH | 0.9172 |
10 | ADO | 0.9144 |
11 | CNL | 0.9140 |
12 | 308 | 0.9118 |
13 | 0MK | 0.9049 |
14 | 3DY | 0.9047 |
15 | AHR | 0.9042 |
16 | TLA | 0.9021 |
17 | 8EZ | 0.8995 |
18 | 3SY | 0.8992 |
19 | NCM | 0.8976 |
20 | RUU | 0.8967 |
21 | BDR | 0.8956 |
22 | TMH | 0.8953 |
23 | RIP | 0.8948 |
24 | FAC | 0.8941 |
25 | WTZ | 0.8924 |
26 | PAF | 0.8891 |
27 | 23B | 0.8870 |
28 | HZP | 0.8870 |
29 | BMA | 0.8849 |
30 | FMS | 0.8842 |
31 | XYS | 0.8826 |
32 | PBE | 0.8805 |
33 | 40O | 0.8766 |
34 | 3ZQ | 0.8764 |
35 | TAR | 0.8752 |
36 | PTO | 0.8740 |
37 | TNE | 0.8728 |
38 | MRY | 0.8723 |
39 | YHO | 0.8722 |
40 | 32O | 0.8721 |
41 | FPK | 0.8680 |
42 | 1U5 | 0.8674 |
43 | BFM | 0.8673 |
44 | 4DX | 0.8662 |
45 | Z6J | 0.8638 |
46 | VAL | 0.8600 |
47 | RP7 | 0.8595 |
48 | THR | 0.8595 |
49 | TZZ | 0.8568 |
This union binding pocket(no: 1) in the query (biounit: 1re9.bio1) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |