- 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 197 families. | |||||
1 | 1POT | Kd = 3.2 uM | SPD | C7 H19 N3 | C(CCNCCCN).... |
2 | 1POY | Kd = 3.2 uM | SPD | C7 H19 N3 | C(CCNCCCN).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 165 families. | |||||
1 | 1A99 | Kd = 2 uM | PUT | C4 H12 N2 | C(CCN)CN |
2 | 4JDF | Kd = 6.4 mM | SPD | C7 H19 N3 | C(CCNCCCN).... |
3 | 3TTN | Kd = 14.3 nM | SPD | C7 H19 N3 | C(CCNCCCN).... |
4 | 3TTM | Kd = 3 nM | PUT | C4 H12 N2 | C(CCN)CN |
5 | 1POT | Kd = 3.2 uM | SPD | C7 H19 N3 | C(CCNCCCN).... |
6 | 1POY | Kd = 3.2 uM | SPD | C7 H19 N3 | C(CCNCCCN).... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | DIA | 0.9929 |
2 | D10 | 0.9899 |
3 | HPL | 0.9851 |
4 | ODI | 0.9825 |
5 | OC9 | 0.9604 |
6 | N8C | 0.9591 |
7 | OYA | 0.9571 |
8 | 8AC | 0.9556 |
9 | KNA | 0.9521 |
10 | DKA | 0.9521 |
11 | CLT | 0.9518 |
12 | DE1 | 0.9497 |
13 | FXY | 0.9496 |
14 | 011 | 0.9486 |
15 | HNE | 0.9475 |
16 | TEG | 0.9446 |
17 | OCA | 0.9443 |
18 | AE3 | 0.9438 |
19 | BHL BHL | 0.9349 |
20 | BHL | 0.9349 |
21 | ENV | 0.9349 |
22 | 7XA | 0.9342 |
23 | MLZ | 0.9338 |
24 | ENW | 0.9320 |
25 | PML | 0.9316 |
26 | OCT | 0.9295 |
27 | 64Z | 0.9273 |
28 | GVA | 0.9258 |
29 | 6XA | 0.9233 |
30 | 9J6 | 0.9225 |
31 | HE4 | 0.9225 |
32 | MHN | 0.9221 |
33 | NWH | 0.9220 |
34 | AJ3 | 0.9218 |
35 | U4G | 0.9218 |
36 | ACA | 0.9214 |
37 | M1T | 0.9206 |
38 | GLY GLY GLY | 0.9199 |
39 | NMH | 0.9196 |
40 | NTU | 0.9176 |
41 | KQY | 0.9162 |
42 | GC7 | 0.9149 |
43 | 16D | 0.9145 |
44 | LPA | 0.9141 |
45 | PG0 | 0.9129 |
46 | GRQ | 0.9115 |
47 | 4DI | 0.9115 |
48 | ARG | 0.9112 |
49 | OKS | 0.9106 |
50 | SSB | 0.9098 |
51 | XOG | 0.9075 |
52 | 5XA | 0.9070 |
53 | HPN | 0.9061 |
54 | 3OM | 0.9060 |
55 | AG2 | 0.9058 |
56 | RED | 0.9051 |
57 | LYS | 0.9047 |
58 | EXY | 0.9025 |
59 | LPB | 0.9015 |
60 | 4TB | 0.9001 |
61 | N6C | 0.8997 |
62 | ONH | 0.8995 |
63 | ORN | 0.8992 |
64 | DAR | 0.8990 |
65 | KAP | 0.8976 |
66 | CUW | 0.8975 |
67 | X1R | 0.8971 |
68 | NOT | 0.8968 |
69 | 3OL | 0.8967 |
70 | SHV | 0.8938 |
71 | 650 | 0.8931 |
72 | HRG | 0.8929 |
73 | 9OD | 0.8926 |
74 | NF3 | 0.8926 |
75 | HAR | 0.8923 |
76 | SKJ | 0.8916 |
77 | MGB | 0.8915 |
78 | NPI | 0.8901 |
79 | SOR | 0.8895 |
80 | AHL | 0.8892 |
81 | OHJ | 0.8892 |
82 | 58X | 0.8891 |
83 | MLY | 0.8890 |
84 | 8SZ | 0.8887 |
85 | 0L1 | 0.8887 |
86 | SLZ | 0.8886 |
87 | JX7 | 0.8878 |
88 | GGG | 0.8870 |
89 | A98 | 0.8866 |
90 | 2FM | 0.8866 |
91 | GGB | 0.8863 |
92 | CIR | 0.8859 |
93 | ALY | 0.8851 |
94 | HJD | 0.8849 |
95 | PUW | 0.8845 |
96 | 1H1 | 0.8840 |
97 | NLE | 0.8839 |
98 | EOU | 0.8837 |
99 | 5UF | 0.8836 |
100 | ZE7 | 0.8833 |
101 | 1N5 | 0.8829 |
102 | HPO | 0.8822 |
103 | MET | 0.8808 |
104 | ILO | 0.8798 |
105 | 2J3 | 0.8797 |
106 | UN1 | 0.8790 |
107 | DHH | 0.8786 |
108 | DLY | 0.8778 |
109 | PRO GLY | 0.8778 |
110 | NLP | 0.8761 |
111 | 492 | 0.8760 |
112 | 6HN | 0.8758 |
113 | 7OD | 0.8755 |
114 | BOW | 0.8750 |
115 | KMT | 0.8748 |
116 | NNH | 0.8747 |
117 | LKA | 0.8745 |
118 | HC4 | 0.8743 |
119 | DHM | 0.8732 |
120 | 7BC | 0.8724 |
121 | YPN | 0.8724 |
122 | MPJ | 0.8721 |
123 | 9GB | 0.8720 |
124 | DNN | 0.8719 |
125 | M3L | 0.8715 |
126 | GAL | 0.8700 |
127 | DIR | 0.8694 |
128 | GB5 | 0.8681 |
129 | JFJ | 0.8679 |
130 | 4JK | 0.8672 |
131 | WT2 | 0.8670 |
132 | S7S | 0.8668 |
133 | ZZU | 0.8667 |
134 | 7UC | 0.8663 |
135 | AKG | 0.8663 |
136 | 3H2 | 0.8661 |
137 | OOG | 0.8658 |
138 | 2H5 | 0.8648 |
139 | KPC | 0.8635 |
140 | TZE | 0.8633 |
141 | GLA | 0.8632 |
142 | E8U | 0.8623 |
143 | API | 0.8623 |
144 | MD0 | 0.8619 |
145 | LUQ | 0.8612 |
146 | 2FG | 0.8611 |
147 | V55 | 0.8609 |
148 | FOM | 0.8602 |
149 | 6C8 | 0.8602 |
150 | MBG | 0.8591 |
151 | EGV | 0.8589 |
152 | PZI | 0.8585 |
153 | 8GL | 0.8563 |
154 | 5PV | 0.8562 |
155 | DZA | 0.8559 |
156 | DGL | 0.8551 |
157 | PEA | 0.8547 |
158 | M3P | 0.8546 |
159 | EV0 | 0.8524 |
160 | 5TO | 0.8515 |
This union binding pocket(no: 1) in the query (biounit: 1pot.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |