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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 271 families. | |||||
1 | 2X9L | - | BOG | C14 H28 O6 | CCCCCCCCO[.... |
2 | 3DFK | - | DKA | C10 H20 O2 | CCCCCCCCCC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 223 families. | |||||
1 | 2X9L | - | BOG | C14 H28 O6 | CCCCCCCCO[.... |
2 | 3DFK | - | DKA | C10 H20 O2 | CCCCCCCCCC.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PLM | 1 | 1 |
2 | STE | 1 | 1 |
3 | MYR | 1 | 1 |
4 | TDA | 1 | 1 |
5 | F23 | 1 | 1 |
6 | DAO | 1 | 1 |
7 | X90 | 1 | 1 |
8 | DCR | 1 | 1 |
9 | KNA | 1 | 1 |
10 | 11A | 1 | 1 |
11 | EW8 | 1 | 1 |
12 | F15 | 1 | 1 |
13 | DKA | 1 | 1 |
14 | OCA | 0.956522 | 1 |
15 | SHV | 0.833333 | 0.952381 |
16 | KTC | 0.793103 | 0.875 |
17 | AZ1 | 0.73913 | 0.64 |
18 | 6NA | 0.72 | 0.904762 |
19 | ELA | 0.71875 | 0.954545 |
20 | NER | 0.71875 | 0.954545 |
21 | OLA | 0.71875 | 0.954545 |
22 | PAM | 0.666667 | 0.954545 |
23 | VCA | 0.666667 | 0.954545 |
24 | PML | 0.625 | 0.6 |
25 | 3LA | 0.606061 | 0.8 |
26 | LEA | 0.6 | 0.809524 |
27 | MYZ | 0.588235 | 0.909091 |
28 | 12H | 0.586207 | 0.615385 |
29 | ODD | 0.567568 | 0.913043 |
30 | BRC | 0.566667 | 0.666667 |
31 | 14V | 0.555556 | 0.740741 |
32 | M12 | 0.545455 | 0.869565 |
33 | 14U | 0.542857 | 0.703704 |
34 | EOD | 0.538462 | 0.7 |
35 | EIC | 0.538462 | 0.913043 |
36 | BMJ | 0.5 | 0.954545 |
37 | BNV | 0.5 | 0.954545 |
38 | D0G | 0.5 | 0.954545 |
39 | BUA | 0.48 | 0.666667 |
40 | RCL | 0.468085 | 0.84 |
41 | FTT | 0.459459 | 0.807692 |
42 | 56S | 0.459459 | 0.653846 |
43 | HXD | 0.459459 | 0.807692 |
44 | T4T | 0.459459 | 0.8 |
45 | ODT | 0.452381 | 0.782609 |
46 | 3X1 | 0.444444 | 0.818182 |
47 | LNL | 0.44186 | 0.826087 |
48 | 9J6 | 0.441176 | 0.666667 |
49 | OOA | 0.441176 | 0.76 |
50 | CUY | 0.435897 | 0.68 |
51 | CNS | 0.435897 | 0.68 |
52 | 6UL | 0.435897 | 0.68 |
53 | 5UF | 0.432432 | 0.807692 |
54 | 243 | 0.428571 | 0.807692 |
55 | EKG | 0.418605 | 0.606061 |
56 | GYM | 0.418605 | 0.606061 |
57 | 1QW | 0.418605 | 0.606061 |
58 | OC9 | 0.413793 | 0.75 |
59 | PL3 | 0.413793 | 0.75 |
60 | F09 | 0.413793 | 0.75 |
61 | DE1 | 0.413793 | 0.75 |
62 | 1DO | 0.413793 | 0.75 |
63 | O8N | 0.413793 | 0.75 |
64 | T25 | 0.403846 | 0.677419 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | U4G | 0.9862 |
2 | 8AC | 0.9633 |
3 | 011 | 0.9621 |
4 | GVA | 0.9599 |
5 | 37Z | 0.9549 |
6 | SPD | 0.9521 |
7 | OKS | 0.9505 |
8 | N8C | 0.9492 |
9 | MLZ | 0.9445 |
10 | GC7 | 0.9441 |
11 | BOW | 0.9432 |
12 | SS9 | 0.9421 |
13 | TEG | 0.9384 |
14 | CLT | 0.9382 |
15 | OKP | 0.9363 |
16 | 9OD | 0.9331 |
17 | D10 | 0.9309 |
18 | Q9C | 0.9303 |
19 | 4DI | 0.9300 |
20 | ODI | 0.9264 |
21 | DXJ | 0.9257 |
22 | 7XA | 0.9229 |
23 | DIA | 0.9218 |
24 | RED | 0.9210 |
25 | DAR | 0.9205 |
26 | OYA | 0.9200 |
27 | ARG | 0.9193 |
28 | ZE7 | 0.9182 |
29 | 1N5 | 0.9145 |
30 | HPL | 0.9130 |
31 | CUW | 0.9113 |
32 | NOT | 0.9113 |
33 | JX7 | 0.9093 |
34 | KAP | 0.9092 |
35 | MGB | 0.9092 |
36 | PUW | 0.9077 |
37 | ALY | 0.9074 |
38 | HAR | 0.9072 |
39 | ENW | 0.9070 |
40 | HRG | 0.9061 |
41 | LPA | 0.9060 |
42 | DNN | 0.9052 |
43 | HNE | 0.9050 |
44 | ENV | 0.9038 |
45 | 64Z | 0.9036 |
46 | NWH | 0.9034 |
47 | UN1 | 0.9029 |
48 | HJD | 0.9021 |
49 | MLY | 0.9017 |
50 | M1T | 0.9008 |
51 | EXY | 0.9002 |
52 | CIR | 0.8995 |
53 | FXY | 0.8984 |
54 | M3B | 0.8964 |
55 | GGB | 0.8959 |
56 | SB7 | 0.8950 |
57 | 4JK | 0.8949 |
58 | LYS | 0.8949 |
59 | NPI | 0.8932 |
60 | VUR | 0.8929 |
61 | DHH | 0.8926 |
62 | GLY GLY GLY | 0.8922 |
63 | 2J3 | 0.8914 |
64 | XOG | 0.8902 |
65 | NMH | 0.8902 |
66 | A98 | 0.8898 |
67 | NSD | 0.8897 |
68 | GGG | 0.8896 |
69 | AG2 | 0.8889 |
70 | SLZ | 0.8886 |
71 | N6C | 0.8885 |
72 | N9M | 0.8884 |
73 | 58X | 0.8870 |
74 | M3L | 0.8869 |
75 | ACA | 0.8865 |
76 | AE3 | 0.8864 |
77 | 6C8 | 0.8860 |
78 | HPO | 0.8859 |
79 | WT2 | 0.8857 |
80 | 3S9 | 0.8849 |
81 | AHL | 0.8844 |
82 | HL6 | 0.8840 |
83 | NNH | 0.8832 |
84 | 6XA | 0.8820 |
85 | LPB | 0.8818 |
86 | GRQ | 0.8811 |
87 | 6HN | 0.8803 |
88 | IAR | 0.8800 |
89 | HZZ | 0.8795 |
90 | 3H2 | 0.8783 |
91 | API | 0.8769 |
92 | KQY | 0.8763 |
93 | 19N | 0.8761 |
94 | TBJ | 0.8758 |
95 | NFZ | 0.8755 |
96 | 5PV | 0.8751 |
97 | 4TB | 0.8747 |
98 | 5TO | 0.8744 |
99 | ILO | 0.8741 |
100 | PBN | 0.8740 |
101 | 1AE | 0.8739 |
102 | 6C4 | 0.8737 |
103 | 6FG | 0.8733 |
104 | 27K | 0.8722 |
105 | MHN | 0.8706 |
106 | 3KJ | 0.8699 |
107 | 6C5 | 0.8692 |
108 | DA2 | 0.8684 |
109 | ONH | 0.8672 |
110 | HPN | 0.8656 |
111 | REG | 0.8655 |
112 | DTB | 0.8650 |
113 | CT0 | 0.8650 |
114 | X1R | 0.8642 |
115 | 6C9 | 0.8626 |
116 | 26P | 0.8620 |
117 | Y39 | 0.8611 |
118 | E8U | 0.8605 |
119 | HSA | 0.8604 |
120 | ZZU | 0.8575 |
121 | 0XR | 0.8572 |
122 | 16D | 0.8558 |
123 | B3M | 0.8556 |
124 | OHJ | 0.8550 |
This union binding pocket(no: 1) in the query (biounit: 2x9l.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |