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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 6 families. | |||||
1 | 6H1L | Kd = 24.5 uM | FJQ | C16 H13 Cl3 N2 O S | c1cc(c(cc1.... |
2 | 1JPZ | Kd = 262 nM | 140 | C18 H35 N O3 | CCCCCCCCCC.... |
3 | 6JZS | - | WAA | C31 H40 N2 O3 | CC(C)C1=CC.... |
4 | 3EKD | Kd = 7.4 uM | PAM | C16 H30 O2 | CCCCCCC=C/.... |
5 | 6K24 | - | WAA | C31 H40 N2 O3 | CC(C)C1=CC.... |
6 | 4KEW | Kd = 1.67 uM | 1C6 | C17 H19 N3 O2 S | Cc1cnc(c(c.... |
7 | 4HGG | - | SYN | C8 H8 | C=Cc1ccccc.... |
8 | 5XA3 | - | PRO PHQ PHE | n/a | n/a |
9 | 4DTW | Kd = 80 uM | SRO | C10 H12 N2 O | c1cc2c(cc1.... |
10 | 6H1O | - | VOR | C16 H14 F3 N5 O | C[C@@H](c1.... |
11 | 4KEY | Kd = 0.212 uM | 1C6 | C17 H19 N3 O2 S | Cc1cnc(c(c.... |
12 | 4O4P | - | 1C6 | C17 H19 N3 O2 S | Cc1cnc(c(c.... |
13 | 6JS8 | - | C5R | C31 H38 N2 O3 | CC(C)c1ccc.... |
14 | 4HGH | - | SYN | C8 H8 | C=Cc1ccccc.... |
15 | 4DTZ | Kd = 8.9 uM | LDP | C8 H11 N O2 | c1cc(c(cc1.... |
16 | 5DYZ | Kd = 0.54 uM | 140 | C18 H35 N O3 | CCCCCCCCCC.... |
17 | 4DUB | Kd = 1.3 uM | LDP | C8 H11 N O2 | c1cc(c(cc1.... |
18 | 3BEN | Kd = 0.32 uM | LEH | C21 H37 N3 O3 | CC(C)C[C@@.... |
19 | 5JQ2 | - | 140 | C18 H35 N O3 | CCCCCCCCCC.... |
20 | 6LY4 | - | TES | C19 H28 O2 | C[C@]12CC[.... |
21 | 4HGI | - | SYN | C8 H8 | C=Cc1ccccc.... |
22 | 4DUF | Kd = 3.3 uM | SRO | C10 H12 N2 O | c1cc2c(cc1.... |
23 | 3KX3 | - | 140 | C18 H35 N O3 | CCCCCCCCCC.... |
24 | 6JLV | - | WAA | C31 H40 N2 O3 | CC(C)C1=CC.... |
25 | 4KPA | Kd = 0.37 uM | 140 | C18 H35 N O3 | CCCCCCCCCC.... |
26 | 6H1T | Kd = 32.8 uM | CL6 | C22 H17 Cl N2 | c1ccc(cc1).... |
27 | 4HGF | - | SYN | C8 H8 | C=Cc1ccccc.... |
28 | 6K58 | - | D0L | C21 H32 N2 O3 | CCCCCCCN1C.... |
29 | 1ZO9 | - | EPM | C21 H41 N O3 S | CCCCCCCCCC.... |
30 | 4DU2 | Kd = 3.3 uM | LDP | C8 H11 N O2 | c1cc(c(cc1.... |
31 | 6JVC | - | WAA | C31 H40 N2 O3 | CC(C)C1=CC.... |
32 | 6JMH | - | WAA | C31 H40 N2 O3 | CC(C)C1=CC.... |
33 | 6K9S | - | WAA | C31 H40 N2 O3 | CC(C)C1=CC.... |
34 | 6H1S | - | TPF | C13 H12 F2 N6 O | c1cc(c(cc1.... |
35 | 4DUE | Kd = 0.7 uM | SRO | C10 H12 N2 O | c1cc2c(cc1.... |
36 | 6JO1 | - | BWX | C22 H27 N O3 | C[C@@H](c1.... |
37 | 6JMW | - | WAA | C31 H40 N2 O3 | CC(C)C1=CC.... |
38 | 1ZOA | Kd = 45 nM | 140 | C18 H35 N O3 | CCCCCCCCCC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 6H1L | Kd = 24.5 uM | FJQ | C16 H13 Cl3 N2 O S | c1cc(c(cc1.... |
2 | 1JPZ | Kd = 262 nM | 140 | C18 H35 N O3 | CCCCCCCCCC.... |
3 | 6JZS | - | WAA | C31 H40 N2 O3 | CC(C)C1=CC.... |
4 | 3EKD | Kd = 7.4 uM | PAM | C16 H30 O2 | CCCCCCC=C/.... |
5 | 6K24 | - | WAA | C31 H40 N2 O3 | CC(C)C1=CC.... |
6 | 4KEW | Kd = 1.67 uM | 1C6 | C17 H19 N3 O2 S | Cc1cnc(c(c.... |
7 | 4HGG | - | SYN | C8 H8 | C=Cc1ccccc.... |
8 | 5XA3 | - | PRO PHQ PHE | n/a | n/a |
9 | 4DTW | Kd = 80 uM | SRO | C10 H12 N2 O | c1cc2c(cc1.... |
10 | 6H1O | - | VOR | C16 H14 F3 N5 O | C[C@@H](c1.... |
11 | 4KEY | Kd = 0.212 uM | 1C6 | C17 H19 N3 O2 S | Cc1cnc(c(c.... |
12 | 4O4P | - | 1C6 | C17 H19 N3 O2 S | Cc1cnc(c(c.... |
13 | 6JS8 | - | C5R | C31 H38 N2 O3 | CC(C)c1ccc.... |
14 | 4HGH | - | SYN | C8 H8 | C=Cc1ccccc.... |
15 | 4DTZ | Kd = 8.9 uM | LDP | C8 H11 N O2 | c1cc(c(cc1.... |
16 | 5DYZ | Kd = 0.54 uM | 140 | C18 H35 N O3 | CCCCCCCCCC.... |
17 | 4DUB | Kd = 1.3 uM | LDP | C8 H11 N O2 | c1cc(c(cc1.... |
18 | 3BEN | Kd = 0.32 uM | LEH | C21 H37 N3 O3 | CC(C)C[C@@.... |
19 | 5JQ2 | - | 140 | C18 H35 N O3 | CCCCCCCCCC.... |
20 | 6LY4 | - | TES | C19 H28 O2 | C[C@]12CC[.... |
21 | 4HGI | - | SYN | C8 H8 | C=Cc1ccccc.... |
22 | 4DUF | Kd = 3.3 uM | SRO | C10 H12 N2 O | c1cc2c(cc1.... |
23 | 3KX3 | - | 140 | C18 H35 N O3 | CCCCCCCCCC.... |
24 | 6JLV | - | WAA | C31 H40 N2 O3 | CC(C)C1=CC.... |
25 | 4KPA | Kd = 0.37 uM | 140 | C18 H35 N O3 | CCCCCCCCCC.... |
26 | 6H1T | Kd = 32.8 uM | CL6 | C22 H17 Cl N2 | c1ccc(cc1).... |
27 | 4HGF | - | SYN | C8 H8 | C=Cc1ccccc.... |
28 | 6K58 | - | D0L | C21 H32 N2 O3 | CCCCCCCN1C.... |
29 | 1ZO9 | - | EPM | C21 H41 N O3 S | CCCCCCCCCC.... |
30 | 4DU2 | Kd = 3.3 uM | LDP | C8 H11 N O2 | c1cc(c(cc1.... |
31 | 6JVC | - | WAA | C31 H40 N2 O3 | CC(C)C1=CC.... |
32 | 6JMH | - | WAA | C31 H40 N2 O3 | CC(C)C1=CC.... |
33 | 6K9S | - | WAA | C31 H40 N2 O3 | CC(C)C1=CC.... |
34 | 6H1S | - | TPF | C13 H12 F2 N6 O | c1cc(c(cc1.... |
35 | 4DUE | Kd = 0.7 uM | SRO | C10 H12 N2 O | c1cc2c(cc1.... |
36 | 6JO1 | - | BWX | C22 H27 N O3 | C[C@@H](c1.... |
37 | 6JMW | - | WAA | C31 H40 N2 O3 | CC(C)C1=CC.... |
38 | 1ZOA | Kd = 45 nM | 140 | C18 H35 N O3 | CCCCCCCCCC.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PAM | 1 | 1 |
2 | VCA | 1 | 1 |
3 | ELA | 0.939394 | 1 |
4 | NER | 0.939394 | 1 |
5 | OLA | 0.939394 | 1 |
6 | MYZ | 0.852941 | 0.954545 |
7 | EIC | 0.725 | 0.956522 |
8 | ODD | 0.675 | 0.956522 |
9 | DAO | 0.666667 | 0.954545 |
10 | F23 | 0.666667 | 0.954545 |
11 | MYR | 0.666667 | 0.954545 |
12 | TDA | 0.666667 | 0.954545 |
13 | 11A | 0.666667 | 0.954545 |
14 | PLM | 0.666667 | 0.954545 |
15 | STE | 0.666667 | 0.954545 |
16 | X90 | 0.666667 | 0.954545 |
17 | KNA | 0.666667 | 0.954545 |
18 | DCR | 0.666667 | 0.954545 |
19 | F15 | 0.666667 | 0.954545 |
20 | DKA | 0.666667 | 0.954545 |
21 | EW8 | 0.666667 | 0.954545 |
22 | OCA | 0.636364 | 0.954545 |
23 | RCL | 0.625 | 0.88 |
24 | LNL | 0.613636 | 0.869565 |
25 | SHV | 0.606061 | 0.909091 |
26 | KTC | 0.564103 | 0.84 |
27 | ODT | 0.555556 | 0.826087 |
28 | T25 | 0.54717 | 0.709677 |
29 | AZ1 | 0.53125 | 0.615385 |
30 | 10Y | 0.529412 | 0.645161 |
31 | 6NA | 0.529412 | 0.863636 |
32 | 10X | 0.529412 | 0.645161 |
33 | 3X1 | 0.525 | 0.863636 |
34 | MVC | 0.519231 | 0.617647 |
35 | 243 | 0.519231 | 0.846154 |
36 | VA | 0.511111 | 0.692308 |
37 | OLC | 0.490566 | 0.617647 |
38 | OLB | 0.490566 | 0.617647 |
39 | ACD | 0.488889 | 0.956522 |
40 | EOD | 0.468085 | 0.677419 |
41 | 1WV | 0.45283 | 0.617647 |
42 | 78M | 0.444444 | 0.617647 |
43 | 78N | 0.444444 | 0.617647 |
44 | 3LA | 0.44186 | 0.769231 |
45 | LEA | 0.441176 | 0.772727 |
46 | T24 | 0.438596 | 0.769231 |
47 | BRC | 0.435897 | 0.64 |
48 | M12 | 0.428571 | 0.833333 |
49 | MPG | 0.425926 | 0.617647 |
50 | 9OD | 0.422222 | 0.72 |
51 | 14V | 0.413043 | 0.714286 |
52 | BMJ | 0.4 | 0.913043 |
53 | D0G | 0.4 | 0.913043 |
54 | 14U | 0.4 | 0.678571 |
55 | BNV | 0.4 | 0.913043 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | SP5 | 0.8715 |
This union binding pocket(no: 1) in the query (biounit: 1zoa.bio1) has 36 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1zoa.bio2) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |