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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 4 families. | |||||
1 | 1NQX | - | RLP | C14 H18 N4 O9 | C(CC(=O)O).... |
2 | 1NQU | - | RDL | C11 H14 N4 O8 | C([C@@H]([.... |
3 | 1NQW | - | 5YL | C14 H26 N3 O9 P | C(CCC1=C(N.... |
4 | 1NQV | - | LMZ | C9 H14 N4 O7 | C([C@@H]([.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 4KQ6 | - | DLZ | C13 H18 N4 O6 | CC1=C(N(C2.... |
2 | 2C97 | Ka = 1380000 M^-1 | JCL | C8 H12 Cl N2 O6 P | C(CCOP(=O).... |
3 | 2C94 | Ka = 6540000 M^-1 | TSF | C15 H23 F2 N4 O10 P | C(CCN1C2=C.... |
4 | 1W19 | - | T1P | C13 H21 N4 O11 P | C(CN1C2=C(.... |
5 | 2C92 | Ka = 474900 M^-1 | TP6 | C15 H25 N4 O11 P | C(CCN1C2=C.... |
6 | 2VI5 | Ki = 110 uM | Y19 | C12 H20 N4 O7 | CCC(=O)N[C.... |
7 | 1W29 | - | TS0 | C14 H23 N4 O11 P | C(CCOP(=O).... |
8 | 1NQX | - | RLP | C14 H18 N4 O9 | C(CC(=O)O).... |
9 | 1NQU | - | RDL | C11 H14 N4 O8 | C([C@@H]([.... |
10 | 1NQW | - | 5YL | C14 H26 N3 O9 P | C(CCC1=C(N.... |
11 | 1NQV | - | LMZ | C9 H14 N4 O7 | C([C@@H]([.... |
12 | 1RVV | - | INI | C9 H14 N4 O8 | C([C@@H]([.... |
13 | 1KYV | Kd = 1.2 uM | RBF | C17 H20 N4 O6 | Cc1cc2c(cc.... |
14 | 1KYY | - | INI | C9 H14 N4 O8 | C([C@@H]([.... |
15 | 1EJB | - | INJ | C14 H26 N3 O9 P | C(CCc1c(nc.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | RDL | 0.9251 |
2 | DLZ | 0.9231 |
3 | 2ZI | 0.8995 |
4 | M3W | 0.8988 |
5 | VT3 | 0.8974 |
6 | NW1 | 0.8960 |
7 | E9L | 0.8955 |
8 | H2W | 0.8950 |
9 | W8L | 0.8948 |
10 | AEY | 0.8944 |
11 | 1UZ | 0.8943 |
12 | CDJ | 0.8920 |
13 | O9Z | 0.8911 |
14 | 5YA | 0.8900 |
15 | 27F | 0.8900 |
16 | 5WW | 0.8900 |
17 | UAY | 0.8900 |
18 | PE2 | 0.8890 |
19 | EMU | 0.8888 |
20 | 08C | 0.8888 |
21 | 3TI | 0.8886 |
22 | WG8 | 0.8882 |
23 | QC1 | 0.8880 |
24 | IY5 | 0.8878 |
25 | 1UR | 0.8874 |
26 | 5TU | 0.8872 |
27 | Y19 | 0.8870 |
28 | O9T | 0.8866 |
29 | BJ4 | 0.8863 |
30 | CMG | 0.8859 |
31 | F36 | 0.8845 |
32 | 15I | 0.8842 |
33 | STL | 0.8842 |
34 | 6BK | 0.8837 |
35 | LU2 | 0.8828 |
36 | A63 | 0.8824 |
37 | F1T | 0.8823 |
38 | 3F4 | 0.8822 |
39 | SGW | 0.8820 |
40 | 25F | 0.8819 |
41 | RGK | 0.8818 |
42 | SZ5 | 0.8815 |
43 | ZRL | 0.8811 |
44 | NU3 | 0.8811 |
45 | 9PP | 0.8810 |
46 | 338 | 0.8810 |
47 | 8GP | 0.8802 |
48 | ECZ | 0.8801 |
49 | IW6 | 0.8800 |
50 | OAK | 0.8800 |
51 | 91F | 0.8795 |
52 | DZ1 | 0.8790 |
53 | 1UT | 0.8783 |
54 | 1V0 | 0.8780 |
55 | F18 | 0.8780 |
56 | J8D | 0.8770 |
57 | LJ5 | 0.8770 |
58 | 5CJ | 0.8768 |
59 | SIJ | 0.8758 |
60 | 8M5 | 0.8756 |
61 | MBP | 0.8754 |
62 | UN4 | 0.8754 |
63 | 97K | 0.8752 |
64 | ZEA | 0.8740 |
65 | O53 | 0.8737 |
66 | 06R | 0.8736 |
67 | AGI | 0.8736 |
68 | D64 | 0.8735 |
69 | U13 | 0.8731 |
70 | QDR | 0.8729 |
71 | MHB | 0.8728 |
72 | 1V8 | 0.8727 |
73 | 6JP | 0.8725 |
74 | AUY | 0.8725 |
75 | 20D | 0.8724 |
76 | 4ZF | 0.8718 |
77 | 1V1 | 0.8717 |
78 | KTV | 0.8715 |
79 | H0V | 0.8715 |
80 | 4L2 | 0.8713 |
81 | 7LU | 0.8710 |
82 | AV6 | 0.8710 |
83 | A73 | 0.8710 |
84 | 6T5 | 0.8708 |
85 | MRE | 0.8707 |
86 | A64 | 0.8705 |
87 | 697 | 0.8704 |
88 | J45 | 0.8701 |
89 | 31F | 0.8698 |
90 | DFL | 0.8697 |
91 | JKN | 0.8685 |
92 | JZR | 0.8680 |
93 | 7GP | 0.8670 |
94 | XAV | 0.8669 |
95 | NKI | 0.8664 |
96 | SAK | 0.8663 |
97 | Q5M | 0.8659 |
98 | LJ1 | 0.8657 |
99 | 29F | 0.8654 |
100 | 7FZ | 0.8652 |
101 | LJ2 | 0.8651 |
102 | GEN | 0.8649 |
103 | FNT | 0.8646 |
104 | 6WU | 0.8642 |
105 | 5NN | 0.8640 |
106 | 5ER | 0.8639 |
107 | WLH | 0.8639 |
108 | DL6 | 0.8636 |
109 | 8UY | 0.8636 |
110 | R3P | 0.8628 |
111 | IDD | 0.8624 |
112 | 1BD | 0.8618 |
113 | SCE | 0.8616 |
114 | R4E | 0.8616 |
115 | TH1 | 0.8613 |
116 | QUE | 0.8598 |
117 | GVI | 0.8598 |
118 | 3GX | 0.8596 |
119 | MR4 | 0.8596 |
120 | 5CK | 0.8588 |
121 | 2QU | 0.8586 |
122 | 53X | 0.8582 |
123 | UN9 | 0.8572 |
124 | 3WL | 0.8572 |
125 | VXM | 0.8563 |
126 | TMP | 0.8555 |
127 | GJW | 0.8550 |
128 | 3WK | 0.8548 |
129 | 1Q1 | 0.8547 |
130 | RE2 | 0.8532 |
131 | GNG | 0.8507 |