- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 271 families. | |||||
1 | 4IKZ | - | AFS | C5 H13 N2 O4 P | C[C@@H](C(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 5OXM | - | ASP GLU | n/a | n/a |
2 | 4D2C | - | ALA PHE | n/a | n/a |
3 | 5OXO | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
4 | 6GHJ | Kd = 6.89 mM | PHE ALA GLN | n/a | n/a |
5 | 5OXN | - | PHE ALA | n/a | n/a |
6 | 5OXK | - | ALA GLN | n/a | n/a |
7 | 5D59 | - | PHE | C9 H11 N O2 | c1ccc(cc1).... |
8 | 5D58 | - | ALA PHE | n/a | n/a |
9 | 6EXS | ic50 = 362 uM | C3H | C12 H24 N2 O4 S | CCC[C@@](C.... |
10 | 4IKZ | - | AFS | C5 H13 N2 O4 P | C[C@@H](C(.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | AFS | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | SEP | 0.9436 |
2 | ALA ALA | 0.9365 |
3 | 3LR | 0.9270 |
4 | AKG | 0.9212 |
5 | GLU | 0.9181 |
6 | SYM | 0.9181 |
7 | FSG | 0.9164 |
8 | DGN | 0.9134 |
9 | OGA | 0.9120 |
10 | GRO | 0.9107 |
11 | FOM | 0.9107 |
12 | 3PG | 0.9083 |
13 | GWM | 0.9078 |
14 | MZT | 0.9077 |
15 | 3S5 | 0.9063 |
16 | GLN | 0.9058 |
17 | DAL DAL | 0.9052 |
18 | NLP | 0.9050 |
19 | HPV | 0.9048 |
20 | DGL | 0.9039 |
21 | RUJ | 0.9033 |
22 | 13P | 0.9021 |
23 | 8OZ | 0.9020 |
24 | FF3 | 0.9019 |
25 | HIS | 0.9005 |
26 | 2HG | 0.8994 |
27 | HL5 | 0.8983 |
28 | 9RH | 0.8982 |
29 | 41K | 0.8976 |
30 | 173 | 0.8974 |
31 | 2IT | 0.8973 |
32 | ICF | 0.8966 |
33 | Q03 | 0.8960 |
34 | 9SE | 0.8959 |
35 | LLH | 0.8955 |
36 | QMP | 0.8955 |
37 | 3YP | 0.8954 |
38 | PC | 0.8948 |
39 | LYS | 0.8947 |
40 | 5XB | 0.8929 |
41 | GGL | 0.8927 |
42 | SYC | 0.8924 |
43 | IP8 | 0.8920 |
44 | G3H | 0.8918 |
45 | 9ON | 0.8912 |
46 | S2G | 0.8907 |
47 | GPF | 0.8905 |
48 | NSB | 0.8903 |
49 | 4WK | 0.8903 |
50 | 9RW | 0.8894 |
51 | HPP | 0.8894 |
52 | KDG | 0.8894 |
53 | E4P | 0.8887 |
54 | HG3 | 0.8885 |
55 | FOC | 0.8885 |
56 | HPS | 0.8878 |
57 | OOG | 0.8877 |
58 | GPJ | 0.8874 |
59 | B85 | 0.8868 |
60 | Q06 | 0.8868 |
61 | 0L1 | 0.8863 |
62 | RMN | 0.8863 |
63 | GUA | 0.8860 |
64 | 8GL | 0.8859 |
65 | 2FT | 0.8848 |
66 | 9J3 | 0.8846 |
67 | SD4 | 0.8846 |
68 | DHS | 0.8846 |
69 | HHH | 0.8840 |
70 | AL0 | 0.8840 |
71 | RAT | 0.8837 |
72 | S2P | 0.8836 |
73 | CXP | 0.8835 |
74 | 449 | 0.8834 |
75 | LY0 | 0.8833 |
76 | GCO | 0.8830 |
77 | DZA | 0.8829 |
78 | DHY | 0.8823 |
79 | LFC | 0.8822 |
80 | LX1 | 0.8819 |
81 | PHE | 0.8815 |
82 | HMS | 0.8814 |
83 | G3P | 0.8811 |
84 | AT3 | 0.8802 |
85 | AHC | 0.8799 |
86 | HGA | 0.8798 |
87 | FLC | 0.8797 |
88 | DXP | 0.8793 |
89 | Q02 | 0.8791 |
90 | DER | 0.8787 |
91 | MES | 0.8787 |
92 | 0OC | 0.8786 |
93 | R2P | 0.8781 |
94 | ONL | 0.8775 |
95 | ACH | 0.8773 |
96 | 3MV | 0.8764 |
97 | BHU | 0.8762 |
98 | 7C3 | 0.8757 |
99 | UN1 | 0.8755 |
100 | TYL | 0.8754 |
101 | 7BC | 0.8752 |
102 | 2D8 | 0.8744 |
103 | SHI | 0.8744 |
104 | SOR | 0.8736 |
105 | MED | 0.8731 |
106 | X8Z | 0.8726 |
107 | GLY GLY | 0.8726 |
108 | RNS | 0.8725 |
109 | GLY ALA | 0.8725 |
110 | FUD | 0.8723 |
111 | 152 | 0.8714 |
112 | F9P | 0.8710 |
113 | 1GP | 0.8707 |
114 | TIH | 0.8703 |
115 | 2CO | 0.8703 |
116 | 1SH | 0.8695 |
117 | 5ZZ | 0.8694 |
118 | PJL | 0.8692 |
119 | AOS | 0.8691 |
120 | GLO | 0.8685 |
121 | PSJ | 0.8680 |
122 | 2BX | 0.8680 |
123 | BHH | 0.8679 |
124 | DYT | 0.8671 |
125 | 5DS | 0.8669 |
126 | JZA | 0.8667 |
127 | HFA | 0.8664 |
128 | DXG | 0.8660 |
129 | 5DL | 0.8659 |
130 | B3U | 0.8659 |
131 | AEG | 0.8656 |
132 | DAR | 0.8652 |
133 | 3PO | 0.8639 |
134 | RNT | 0.8630 |
135 | SOL | 0.8629 |
136 | IVL | 0.8629 |
137 | Q07 | 0.8624 |
138 | I38 | 0.8624 |
139 | SER THR | 0.8622 |
140 | RTK | 0.8622 |
141 | URP | 0.8613 |
142 | PHU | 0.8607 |
143 | 5WZ | 0.8600 |
144 | NFA | 0.8598 |
145 | XLS | 0.8588 |
146 | RBL | 0.8586 |
147 | FIX | 0.8585 |
148 | HL4 | 0.8585 |
149 | DHI | 0.8576 |
150 | R9M | 0.8561 |
151 | SAF | 0.8560 |
152 | IXW | 0.8557 |
153 | ORN | 0.8557 |
154 | ARG | 0.8534 |
This union binding pocket(no: 1) in the query (biounit: 4ikz.bio1) has 10 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |