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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 3 families. | |||||
1 | 1PFV | - | 2FM | C5 H9 F2 N O2 S | C(CSC(F)F).... |
2 | 1PG2 | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
3 | 6SPR | Kd = 0.56 mM | B3M | C6 H13 N O2 S | CSCC[C@@H].... |
4 | 1PFU | Kd = 1900 uM | MPJ | C4 H12 N O2 P S | CSCC[C@H](.... |
5 | 1F4L | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
6 | 3H9B | - | NOT | C6 H12 N4 O2 | C(CCN=[N+].... |
7 | 1PFW | - | MF3 | C5 H8 F3 N O2 S | C(CSC(F)(F.... |
8 | 1PG0 | Kd ~ 1 uM | MOD | C15 H27 N6 O7 P S | CSCC[C@@H].... |
9 | 6SPO | Kd = 0.05 mM | MET | C5 H11 N O2 S | CSCC[C@@H].... |
10 | 1PFY | ic50 ~ 7 nM | MSP | C15 H25 N7 O7 S2 | CSCC[C@@H].... |
11 | 3H99 | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
12 | 1P7P | - | MPH | C4 H12 N O3 P S | CSCC[C@H](.... |
13 | 6SPN | Kd = 1.2 mM | B3M | C6 H13 N O2 S | CSCC[C@@H].... |
14 | 6SPQ | Kd = 0.029 mM | MET | C5 H11 N O2 S | CSCC[C@@H].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1PFV | - | 2FM | C5 H9 F2 N O2 S | C(CSC(F)F).... |
2 | 1PG2 | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
3 | 6SPR | Kd = 0.56 mM | B3M | C6 H13 N O2 S | CSCC[C@@H].... |
4 | 1PFU | Kd = 1900 uM | MPJ | C4 H12 N O2 P S | CSCC[C@H](.... |
5 | 1F4L | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
6 | 3H9B | - | NOT | C6 H12 N4 O2 | C(CCN=[N+].... |
7 | 1PFW | - | MF3 | C5 H8 F3 N O2 S | C(CSC(F)(F.... |
8 | 1PG0 | Kd ~ 1 uM | MOD | C15 H27 N6 O7 P S | CSCC[C@@H].... |
9 | 6SPO | Kd = 0.05 mM | MET | C5 H11 N O2 S | CSCC[C@@H].... |
10 | 1PFY | ic50 ~ 7 nM | MSP | C15 H25 N7 O7 S2 | CSCC[C@@H].... |
11 | 3H99 | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
12 | 1P7P | - | MPH | C4 H12 N O3 P S | CSCC[C@H](.... |
13 | 6SPN | Kd = 1.2 mM | B3M | C6 H13 N O2 S | CSCC[C@@H].... |
14 | 6SPQ | Kd = 0.029 mM | MET | C5 H11 N O2 S | CSCC[C@@H].... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | AG2 | 0.9422 |
2 | KMH | 0.9405 |
3 | SHV | 0.9386 |
4 | IXW | 0.9327 |
5 | KQY | 0.9318 |
6 | ORN | 0.9257 |
7 | ACA | 0.9250 |
8 | LYS | 0.9233 |
9 | 7UC | 0.9222 |
10 | N6C | 0.9209 |
11 | HPN | 0.9190 |
12 | NLE | 0.9161 |
13 | 3H2 | 0.9156 |
14 | GLU | 0.9147 |
15 | AKG | 0.9146 |
16 | PBN | 0.9139 |
17 | OCA | 0.9137 |
18 | 0L1 | 0.9136 |
19 | 1CO | 0.9120 |
20 | MEV | 0.9117 |
21 | CUW | 0.9116 |
22 | SSB | 0.9112 |
23 | 2CO | 0.9101 |
24 | OCT | 0.9090 |
25 | NMH | 0.9087 |
26 | NWH | 0.9058 |
27 | RB5 | 0.9054 |
28 | GVA | 0.9050 |
29 | PML | 0.9040 |
30 | KMT | 0.9033 |
31 | MSE | 0.9021 |
32 | MPH | 0.9017 |
33 | GLN | 0.9016 |
34 | 3HG | 0.8995 |
35 | M1T | 0.8992 |
36 | MHO | 0.8991 |
37 | MPJ | 0.8988 |
38 | 7C3 | 0.8980 |
39 | AE3 | 0.8976 |
40 | 8EW | 0.8966 |
41 | GLY GLY | 0.8960 |
42 | DLY | 0.8936 |
43 | 5XA | 0.8931 |
44 | 6XA | 0.8930 |
45 | XLS | 0.8929 |
46 | PG0 | 0.8915 |
47 | 8SZ | 0.8912 |
48 | ONL | 0.8911 |
49 | MTL | 0.8909 |
50 | GOJ | 0.8904 |
51 | GPF | 0.8903 |
52 | 6NA | 0.8903 |
53 | SLZ | 0.8901 |
54 | 3YP | 0.8901 |
55 | 4SD | 0.8891 |
56 | 16D | 0.8886 |
57 | 2EH | 0.8884 |
58 | RNS | 0.8882 |
59 | 6JN | 0.8882 |
60 | NSD | 0.8881 |
61 | MHN | 0.8879 |
62 | S2G | 0.8879 |
63 | P23 | 0.8871 |
64 | LLH | 0.8867 |
65 | O45 | 0.8867 |
66 | 2HG | 0.8866 |
67 | BHU | 0.8860 |
68 | HPO | 0.8855 |
69 | DXG | 0.8854 |
70 | MLT | 0.8849 |
71 | NLP | 0.8848 |
72 | MLZ | 0.8844 |
73 | 152 | 0.8842 |
74 | AHN | 0.8834 |
75 | BHL | 0.8832 |
76 | SD4 | 0.8808 |
77 | 7XA | 0.8792 |
78 | 5XB | 0.8790 |
79 | XUL | 0.8790 |
80 | HTX | 0.8790 |
81 | OOG | 0.8788 |
82 | SME | 0.8786 |
83 | 011 | 0.8783 |
84 | 9J3 | 0.8777 |
85 | LT1 | 0.8771 |
86 | DZA | 0.8771 |
87 | 1N5 | 0.8763 |
88 | 13P | 0.8761 |
89 | GRQ | 0.8758 |
90 | ENV | 0.8757 |
91 | RBL | 0.8751 |
92 | 258 | 0.8750 |
93 | OHJ | 0.8750 |
94 | OC9 | 0.8748 |
95 | ARG | 0.8746 |
96 | MAH | 0.8740 |
97 | VKC | 0.8740 |
98 | OYA | 0.8738 |
99 | 263 | 0.8736 |
100 | GPJ | 0.8731 |
101 | NYL | 0.8731 |
102 | BNF | 0.8729 |
103 | 2IT | 0.8727 |
104 | DER | 0.8720 |
105 | HMS | 0.8717 |
106 | DII | 0.8716 |
107 | AEF | 0.8711 |
108 | HPL | 0.8705 |
109 | AT3 | 0.8705 |
110 | DGL | 0.8703 |
111 | XYL | 0.8702 |
112 | P22 | 0.8698 |
113 | 3LR | 0.8693 |
114 | EKN | 0.8686 |
115 | M44 | 0.8685 |
116 | SHO | 0.8684 |
117 | 43W | 0.8680 |
118 | 3OL | 0.8679 |
119 | UN1 | 0.8679 |
120 | BHL BHL | 0.8673 |
121 | SEP | 0.8673 |
122 | B40 | 0.8668 |
123 | ENW | 0.8666 |
124 | GLR | 0.8665 |
125 | NTU | 0.8664 |
126 | N4B | 0.8655 |
127 | FUD | 0.8645 |
128 | 1H1 | 0.8633 |
129 | URP | 0.8626 |
130 | 0VT | 0.8619 |
131 | LPK | 0.8615 |
132 | HL5 | 0.8614 |
133 | 5FX | 0.8614 |
134 | 4TB | 0.8608 |
135 | KNA | 0.8601 |
136 | S8V | 0.8598 |
137 | DIR | 0.8596 |
138 | DAR | 0.8594 |
139 | DAV | 0.8582 |
140 | PSJ | 0.8572 |
141 | ROR | 0.8568 |
142 | CLT | 0.8563 |
143 | GGL | 0.8561 |
144 | DKA | 0.8556 |
145 | E79 | 0.8553 |
146 | I38 | 0.8530 |
147 | EHM | 0.8526 |
148 | SKJ | 0.8522 |
149 | KDG | 0.8518 |
This union binding pocket(no: 1) in the query (biounit: 1pfy.bio1) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |