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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 1 families. | |||||
1 | 4DVQ | - | 1CA | C21 H30 O3 | C[C@]12CC[.... |
2 | 6M7X | Kd = 9 nM | JD7 | C14 H13 N3 | c1cc(ccc1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4DVQ | - | 1CA | C21 H30 O3 | C[C@]12CC[.... |
2 | 6M7X | Kd = 9 nM | JD7 | C14 H13 N3 | c1cc(ccc1C.... |
3 | 3MZS | - | HC9 | C27 H46 O2 | C[C@@H]([C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | JD7 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | HVE | 0.9267 |
2 | AYS | 0.9240 |
3 | LLG | 0.9190 |
4 | M01 | 0.9144 |
5 | XK0 | 0.9089 |
6 | 2GA | 0.9054 |
7 | 16Z | 0.9043 |
8 | TCC | 0.9039 |
9 | ERZ | 0.9028 |
10 | IM4 | 0.9024 |
11 | 3TC | 0.9014 |
12 | A7Q | 0.8999 |
13 | TH4 | 0.8994 |
14 | SLY | 0.8982 |
15 | H35 | 0.8981 |
16 | DCN | 0.8978 |
17 | TCL | 0.8963 |
18 | ZEA | 0.8960 |
19 | N2Y | 0.8956 |
20 | 27M | 0.8955 |
21 | 8OB | 0.8954 |
22 | 8OE | 0.8952 |
23 | SRE | 0.8941 |
24 | FT1 | 0.8936 |
25 | 8UY | 0.8927 |
26 | 12R | 0.8925 |
27 | 38B | 0.8911 |
28 | M02 | 0.8897 |
29 | FT3 | 0.8884 |
30 | 3B4 | 0.8878 |
31 | FB4 | 0.8874 |
32 | SNV | 0.8863 |
33 | ELH | 0.8848 |
34 | GVQ | 0.8847 |
35 | PW1 | 0.8840 |
36 | C6Z | 0.8834 |
37 | A4V | 0.8832 |
38 | J47 | 0.8829 |
39 | 29Q | 0.8827 |
40 | FT2 | 0.8826 |
41 | 2B4 | 0.8825 |
42 | BXZ | 0.8820 |
43 | A6H | 0.8808 |
44 | 1KN | 0.8806 |
45 | 67Y | 0.8792 |
46 | BNY | 0.8774 |
47 | 9JH | 0.8773 |
48 | 9VQ | 0.8770 |
49 | S8D | 0.8758 |
50 | TLF | 0.8753 |
51 | EQW | 0.8753 |
52 | ZIP | 0.8751 |
53 | 54F | 0.8750 |
54 | 1OH | 0.8741 |
55 | URI | 0.8740 |
56 | 2KU | 0.8739 |
57 | 6J3 | 0.8739 |
58 | 4MP | 0.8735 |
59 | 5YA | 0.8733 |
60 | XDL XYP | 0.8732 |
61 | 9JT | 0.8731 |
62 | SNP | 0.8728 |
63 | LTT | 0.8723 |
64 | NHT | 0.8715 |
65 | 3IL | 0.8714 |
66 | CTN | 0.8713 |
67 | PNG | 0.8706 |
68 | 147 | 0.8706 |
69 | EMU | 0.8700 |
70 | TRP | 0.8695 |
71 | CUT | 0.8691 |
72 | A7K | 0.8691 |
73 | MZR | 0.8684 |
74 | 9F8 | 0.8682 |
75 | JXQ | 0.8678 |
76 | S0F | 0.8675 |
77 | BWG | 0.8674 |
78 | TL5 | 0.8669 |
79 | SOJ | 0.8661 |
80 | GI2 | 0.8661 |
81 | 52B | 0.8658 |
82 | HX8 | 0.8658 |
83 | ID8 | 0.8650 |
84 | LR2 | 0.8648 |
85 | BDI | 0.8647 |
86 | VIB | 0.8646 |
87 | EAJ | 0.8644 |
88 | 6J9 | 0.8643 |
89 | PFT | 0.8639 |
90 | 4K2 | 0.8630 |
91 | A08 | 0.8626 |
92 | 14N | 0.8620 |
93 | MJ5 | 0.8618 |
94 | 2LT | 0.8617 |
95 | NB1 | 0.8611 |
96 | ZYC | 0.8606 |
97 | A18 | 0.8605 |
98 | K80 | 0.8603 |
99 | GAT | 0.8600 |
100 | DBE | 0.8589 |
101 | 3CR | 0.8587 |
102 | SIJ | 0.8587 |
103 | BY5 | 0.8581 |
104 | TQL | 0.8578 |
105 | FPL | 0.8577 |
106 | CBQ | 0.8568 |
107 | R9G | 0.8562 |
108 | 0OP | 0.8560 |
109 | E0O | 0.8548 |
110 | 26C | 0.8525 |
This union binding pocket(no: 1) in the query (biounit: 6m7x.bio2) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6m7x.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |