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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 | CAH | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | CAM | 0.9826 |
2 | TCM | 0.9759 |
3 | 308 | 0.9393 |
4 | 2BN | 0.9387 |
5 | CNL | 0.9364 |
6 | LRH | 0.9325 |
7 | CAE | 0.9230 |
8 | ADO | 0.9223 |
9 | BMA | 0.9192 |
10 | BDR | 0.9191 |
11 | BFM | 0.9184 |
12 | AHR | 0.9162 |
13 | FUB | 0.9153 |
14 | 32O | 0.9124 |
15 | TLA | 0.9097 |
16 | FRU | 0.9037 |
17 | ADM | 0.9034 |
18 | PAV | 0.8991 |
19 | Z6J | 0.8976 |
20 | 4PW | 0.8973 |
21 | PBE | 0.8964 |
22 | OAF | 0.8957 |
23 | RIM | 0.8953 |
24 | OFQ | 0.8948 |
25 | XYS | 0.8931 |
26 | PTO | 0.8930 |
27 | IFL | 0.8923 |
28 | CAX | 0.8916 |
29 | TAR | 0.8911 |
30 | TMH | 0.8907 |
31 | SVJ | 0.8905 |
32 | 34V | 0.8897 |
33 | TNE | 0.8896 |
34 | EU7 | 0.8876 |
35 | 3DY | 0.8868 |
36 | 8EZ | 0.8859 |
37 | 6HQ | 0.8819 |
38 | AI2 | 0.8805 |
39 | GLC | 0.8800 |
40 | DZX | 0.8797 |
41 | YHO | 0.8795 |
42 | RIP | 0.8794 |
43 | XYP | 0.8781 |
44 | FAC | 0.8762 |
45 | 1U5 | 0.8762 |
46 | RAM | 0.8755 |
47 | RIB | 0.8743 |
48 | RUU | 0.8741 |
49 | MAN | 0.8732 |
50 | BGC | 0.8721 |
51 | GCS | 0.8720 |
52 | NHC | 0.8686 |
53 | 0MK | 0.8683 |
54 | CGB | 0.8671 |
55 | FUL | 0.8666 |
56 | XXR | 0.8661 |
57 | NCM | 0.8655 |
58 | QFH | 0.8648 |
59 | OEM | 0.8647 |
60 | 23B | 0.8638 |
61 | DGJ | 0.8627 |
62 | WTZ | 0.8620 |
63 | ENL | 0.8614 |
64 | ASP | 0.8613 |
65 | CIT | 0.8596 |
66 | MMA | 0.8589 |
67 | DMJ | 0.8567 |
68 | 4RW | 0.8527 |
This union binding pocket(no: 1) in the query (biounit: 1re9.bio1) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |