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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 1331 families. | |||||
1 | 6HPY | - | GKN | C20 H23 N O3 | CC(C)(C)c1.... |
2 | 6HT1 | Kd = 0.077 uM | GQ5 | C22 H24 N6 O | C[C@H]1CCC.... |
3 | 6HPW | Kd ~ 807 nM | GKT | C21 H23 I N4 O | Cc1ccc(cc1.... |
4 | 6HPZ | - | ALY | C8 H16 N2 O3 | CC(=O)NCCC.... |
5 | 6HT0 | Kd = 0.0058 uM | GQ8 | C24 H26 N6 O | C[C@H]1CCC.... |
6 | 6HPX | - | GKQ | C21 H23 Cl N4 O | c1cc(cc(c1.... |
7 | 5YYF | Kd = 0.33 uM | PHQ GLN THR ALA ARG LYS NH2 FOA | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 6HPY | - | GKN | C20 H23 N O3 | CC(C)(C)c1.... |
2 | 6HT1 | Kd = 0.077 uM | GQ5 | C22 H24 N6 O | C[C@H]1CCC.... |
3 | 6HPW | Kd ~ 807 nM | GKT | C21 H23 I N4 O | Cc1ccc(cc1.... |
4 | 6HPZ | - | ALY | C8 H16 N2 O3 | CC(=O)NCCC.... |
5 | 6HT0 | Kd = 0.0058 uM | GQ8 | C24 H26 N6 O | C[C@H]1CCC.... |
6 | 6HPX | - | GKQ | C21 H23 Cl N4 O | c1cc(cc(c1.... |
7 | 5YYF | Kd = 0.33 uM | PHQ GLN THR ALA ARG LYS NH2 FOA | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ALY | 1 | 1 |
2 | HRG | 0.65 | 0.634146 |
3 | 9YT | 0.621622 | 0.888889 |
4 | MLZ | 0.615385 | 0.763158 |
5 | LBY | 0.574468 | 0.688889 |
6 | 0TF | 0.553191 | 0.815789 |
7 | 2YG | 0.541667 | 0.815789 |
8 | ILO | 0.534884 | 0.717949 |
9 | LYS | 0.512821 | 0.742857 |
10 | CIR | 0.512195 | 0.74359 |
11 | ONH | 0.5 | 0.619048 |
12 | MLY | 0.5 | 0.651163 |
13 | DLY | 0.487179 | 0.764706 |
14 | PYL | 0.482143 | 0.695652 |
15 | 2YC | 0.482143 | 0.695652 |
16 | CCL | 0.481481 | 0.652174 |
17 | NMM | 0.478261 | 0.642857 |
18 | LYS ALA ALA ARG ALY SER ALA PRO ALA | 0.477273 | 0.828571 |
19 | DHH | 0.475 | 0.621622 |
20 | API | 0.472222 | 0.685714 |
21 | 5D4 | 0.472222 | 0.710526 |
22 | 5CT | 0.469388 | 0.658537 |
23 | 1J1 | 0.464286 | 0.688889 |
24 | NPI | 0.463415 | 0.666667 |
25 | NLE | 0.461538 | 0.638889 |
26 | SHR | 0.46 | 0.756757 |
27 | 2MR | 0.44898 | 0.627907 |
28 | VIO | 0.44898 | 0.627907 |
29 | 2YF | 0.448276 | 0.673913 |
30 | VUR | 0.446809 | 0.619048 |
31 | 4JK | 0.446809 | 0.642857 |
32 | 9VC | 0.440678 | 0.666667 |
33 | JM2 | 0.44 | 0.6 |
34 | WT2 | 0.4375 | 0.692308 |
35 | ORN | 0.435897 | 0.735294 |
36 | 2YJ | 0.431373 | 0.815789 |
37 | 8WS | 0.428571 | 0.769231 |
38 | LN6 | 0.423077 | 0.666667 |
39 | 2YH | 0.42 | 0.810811 |
40 | REZ | 0.42 | 0.810811 |
41 | 9U9 | 0.419355 | 0.625 |
42 | JM7 | 0.415094 | 0.636364 |
43 | UN1 | 0.414634 | 0.638889 |
44 | 11C | 0.414634 | 0.638889 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | DNN | 0.9609 |
2 | EXY | 0.9505 |
3 | 9J6 | 0.9341 |
4 | KAP | 0.9330 |
5 | ARG | 0.9308 |
6 | NOT | 0.9297 |
7 | 2NP | 0.9291 |
8 | G3M | 0.9240 |
9 | NFZ | 0.9235 |
10 | 19N | 0.9216 |
11 | 3KJ | 0.9193 |
12 | DA2 | 0.9186 |
13 | XRX | 0.9185 |
14 | KPV | 0.9170 |
15 | S2C | 0.9170 |
16 | MGB | 0.9168 |
17 | LPA | 0.9133 |
18 | OJD | 0.9117 |
19 | HAR | 0.9110 |
20 | LPB | 0.9100 |
21 | KNA | 0.9095 |
22 | 9OD | 0.9094 |
23 | 8AC | 0.9077 |
24 | DKA | 0.9074 |
25 | IAR | 0.9070 |
26 | DAR | 0.9060 |
27 | OKP | 0.9058 |
28 | XI7 | 0.9042 |
29 | E8U | 0.9040 |
30 | GGB | 0.9031 |
31 | 6HN | 0.9029 |
32 | 26P | 0.9024 |
33 | GGG | 0.9004 |
34 | TEG | 0.9002 |
35 | SB7 | 0.9001 |
36 | NNH | 0.8997 |
37 | AHL | 0.8991 |
38 | 4DI | 0.8983 |
39 | PML | 0.8982 |
40 | 7XA | 0.8978 |
41 | N8C | 0.8976 |
42 | Z70 | 0.8962 |
43 | J9Y | 0.8960 |
44 | CLT | 0.8959 |
45 | 3CX | 0.8958 |
46 | GC7 | 0.8958 |
47 | PHQ DAL | 0.8956 |
48 | DTB | 0.8954 |
49 | RGP | 0.8949 |
50 | 5KJ | 0.8944 |
51 | U4G | 0.8937 |
52 | 5UF | 0.8936 |
53 | 2J3 | 0.8933 |
54 | IJ6 | 0.8924 |
55 | 1N5 | 0.8922 |
56 | S0B | 0.8919 |
57 | BSC | 0.8904 |
58 | 4KJ | 0.8901 |
59 | GVA | 0.8900 |
60 | ABH | 0.8895 |
61 | 1KJ | 0.8893 |
62 | L06 | 0.8893 |
63 | REG | 0.8892 |
64 | M3L | 0.8891 |
65 | M5P | 0.8883 |
66 | 6C8 | 0.8880 |
67 | N9M | 0.8876 |
68 | XOG | 0.8871 |
69 | 5PV | 0.8869 |
70 | XRS | 0.8861 |
71 | KLS | 0.8855 |
72 | SPD | 0.8851 |
73 | 3GZ | 0.8845 |
74 | HL6 | 0.8845 |
75 | EEK | 0.8844 |
76 | OKS | 0.8837 |
77 | D53 | 0.8837 |
78 | SX2 | 0.8825 |
79 | ZE7 | 0.8819 |
80 | S0A | 0.8819 |
81 | 5TO | 0.8812 |
82 | P93 | 0.8811 |
83 | SB9 | 0.8811 |
84 | OCA | 0.8810 |
85 | JX7 | 0.8809 |
86 | JF5 | 0.8797 |
87 | HSA | 0.8796 |
88 | 0XR | 0.8793 |
89 | FB6 | 0.8789 |
90 | 6XA | 0.8783 |
91 | ZZU | 0.8780 |
92 | HPX | 0.8778 |
93 | BTN | 0.8775 |
94 | 0V7 | 0.8775 |
95 | T03 | 0.8774 |
96 | ODI | 0.8770 |
97 | 6CL | 0.8765 |
98 | 58X | 0.8763 |
99 | 0QA | 0.8761 |
100 | FXY | 0.8758 |
101 | 6C4 | 0.8755 |
102 | NRG | 0.8754 |
103 | HJD | 0.8753 |
104 | GLY GLY GLY | 0.8753 |
105 | PMV | 0.8748 |
106 | DE1 | 0.8741 |
107 | 1PS | 0.8741 |
108 | TPM | 0.8737 |
109 | FZ3 | 0.8732 |
110 | DIA | 0.8723 |
111 | TBJ | 0.8722 |
112 | EGV | 0.8714 |
113 | 4Z0 | 0.8710 |
114 | BZM | 0.8708 |
115 | DI9 | 0.8702 |
116 | 37E | 0.8697 |
117 | D10 | 0.8696 |
118 | CT0 | 0.8688 |
119 | 8CV | 0.8687 |
120 | ENV | 0.8684 |
121 | 6C5 | 0.8682 |
122 | IJ1 | 0.8681 |
123 | 0V8 | 0.8681 |
124 | OGY | 0.8680 |
125 | D1G | 0.8680 |
126 | 4ZD | 0.8680 |
127 | 011 | 0.8679 |
128 | KPC | 0.8678 |
129 | HPK | 0.8678 |
130 | PHQ ALA | 0.8672 |
131 | HPO | 0.8670 |
132 | IMI | 0.8664 |
133 | JGY | 0.8649 |
134 | MFY | 0.8631 |
135 | 5OY | 0.8631 |
136 | ENW | 0.8628 |
137 | 6C9 | 0.8622 |
138 | JKK | 0.8622 |
139 | 3S9 | 0.8619 |
140 | PZX | 0.8614 |
141 | PUW | 0.8612 |
142 | 8YH | 0.8603 |
143 | 11A | 0.8594 |
144 | ZIP | 0.8589 |
145 | BSA | 0.8578 |
146 | RPI | 0.8572 |
147 | 1EB | 0.8570 |
148 | 11X | 0.8558 |
149 | IJ4 | 0.8558 |
150 | FHV | 0.8551 |
151 | BVS | 0.8549 |
152 | DAO | 0.8541 |
153 | JVD | 0.8540 |
154 | MF3 | 0.8512 |
This union binding pocket(no: 1) in the query (biounit: 6ht0.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |