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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4G37 | - | SLU | C21 H18 N8 O8 S3 | c1cc2c(cc1.... |
2 | 3RIX | - | 923 | C27 H28 O7 | CC(C)([C@H.... |
3 | 5KYT | - | SLU | C21 H18 N8 O8 S3 | c1cc2c(cc1.... |
4 | 4E5D | - | 0NJ | C14 H10 F N O S | COc1ccc2c(.... |
5 | 3IES | Kd ~ 120 pM | M24 | C25 H21 F N7 O9 P | c1ccc(c(c1.... |
6 | 6K4C | - | SLU | C21 H18 N8 O8 S3 | c1cc2c(cc1.... |
7 | 6K4D | - | ESJ | C11 H8 N2 O3 S2 | c1cc2c(cc1.... |
8 | 2D1R | - | OLU | C10 H6 N2 O2 S2 | c1cc2c(cc1.... |
9 | 2D1Q | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
10 | 2D1T | - | SLU | C21 H18 N8 O8 S3 | c1cc2c(cc1.... |
11 | 2D1S | - | SLU | C21 H18 N8 O8 S3 | c1cc2c(cc1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 5BSV | - | 4UW | C20 H22 N5 O10 P | COC1=CC(=C.... |
2 | 5BSW | - | 4UW | C20 H22 N5 O10 P | COC1=CC(=C.... |
3 | 5BST | - | 4UU | C19 H20 N5 O9 P | c1nc(c2c(n.... |
4 | 5BSU | - | 4UV | C19 H18 N5 O10 P | c1nc(c2c(n.... |
5 | 5BSM | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
6 | 5BSR | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
7 | 3IES | Kd ~ 120 pM | M24 | C25 H21 F N7 O9 P | c1ccc(c(c1.... |
8 | 6K4C | - | SLU | C21 H18 N8 O8 S3 | c1cc2c(cc1.... |
9 | 6K4D | - | ESJ | C11 H8 N2 O3 S2 | c1cc2c(cc1.... |
10 | 2D1T | - | SLU | C21 H18 N8 O8 S3 | c1cc2c(cc1.... |
11 | 2D1S | - | SLU | C21 H18 N8 O8 S3 | c1cc2c(cc1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | SLU | 1 | 1 |
2 | G5A | 0.54386 | 0.897727 |
3 | A5A | 0.543103 | 0.929412 |
4 | 53H | 0.542373 | 0.897727 |
5 | SSA | 0.538462 | 0.897727 |
6 | B1U | 0.536 | 0.869565 |
7 | 52H | 0.533898 | 0.897727 |
8 | DSZ | 0.533333 | 0.897727 |
9 | GSU | 0.532787 | 0.897727 |
10 | D4F | 0.532374 | 0.831461 |
11 | 5CA | 0.529412 | 0.897727 |
12 | TSB | 0.529412 | 0.918605 |
13 | 8X1 | 0.529412 | 0.868132 |
14 | YSA | 0.52381 | 0.94186 |
15 | 54H | 0.521008 | 0.908046 |
16 | VMS | 0.521008 | 0.908046 |
17 | LSS | 0.520661 | 0.877778 |
18 | KAA | 0.520325 | 0.868132 |
19 | NSS | 0.508197 | 0.897727 |
20 | P5A | 0.508065 | 0.858696 |
21 | 4YB | 0.507692 | 0.898876 |
22 | 5AS | 0.504425 | 0.876405 |
23 | NVA LMS | 0.504065 | 0.868132 |
24 | WSA | 0.492537 | 0.930233 |
25 | 8PZ | 0.492188 | 0.91954 |
26 | 8Q2 | 0.488889 | 0.910112 |
27 | LMS | 0.477477 | 0.928571 |
28 | 649 | 0.459854 | 0.9 |
29 | AOC | 0.443478 | 0.689655 |
30 | QXP | 0.440945 | 0.842697 |
31 | R2V | 0.438462 | 0.863636 |
32 | ADX | 0.433333 | 0.883721 |
33 | LEU LMS | 0.430769 | 0.806452 |
34 | QXG | 0.430769 | 0.853933 |
35 | ABM | 0.42735 | 0.75 |
36 | 45A | 0.42735 | 0.75 |
37 | A | 0.426087 | 0.767442 |
38 | AMP | 0.426087 | 0.767442 |
39 | SON | 0.425 | 0.764045 |
40 | V2G | 0.424 | 0.758242 |
41 | APC MG | 0.422764 | 0.75 |
42 | AMP MG | 0.422414 | 0.755814 |
43 | CA0 | 0.421488 | 0.772727 |
44 | TAD | 0.42029 | 0.808989 |
45 | BA3 | 0.420168 | 0.790698 |
46 | KG4 | 0.418033 | 0.772727 |
47 | B4P | 0.416667 | 0.790698 |
48 | AP5 | 0.416667 | 0.790698 |
49 | A2D | 0.415254 | 0.790698 |
50 | B5Y | 0.414815 | 0.795455 |
51 | DLL | 0.412214 | 0.802326 |
52 | QA7 | 0.410853 | 0.755556 |
53 | MAP | 0.410853 | 0.755556 |
54 | SRA | 0.410256 | 0.813953 |
55 | AU1 | 0.409836 | 0.772727 |
56 | M33 | 0.409836 | 0.761364 |
57 | 3UK | 0.409091 | 0.793103 |
58 | AP2 | 0.408333 | 0.744444 |
59 | A12 | 0.408333 | 0.744444 |
60 | 9SN | 0.407407 | 0.758242 |
61 | 5X8 | 0.406504 | 0.681818 |
62 | ATP | 0.406504 | 0.770115 |
63 | HEJ | 0.406504 | 0.770115 |
64 | 8LH | 0.40625 | 0.764045 |
65 | SRP | 0.40625 | 0.764045 |
66 | B5V | 0.406015 | 0.804598 |
67 | WAQ | 0.406015 | 0.747253 |
68 | ADP | 0.404959 | 0.770115 |
69 | GAP | 0.404762 | 0.752809 |
70 | AMO | 0.40458 | 0.764045 |
71 | PAJ | 0.40458 | 0.731183 |
72 | KOY | 0.404255 | 0.735632 |
73 | APC | 0.403226 | 0.744444 |
74 | APR | 0.403226 | 0.770115 |
75 | AQP | 0.403226 | 0.770115 |
76 | 5FA | 0.403226 | 0.770115 |
77 | AR6 | 0.403226 | 0.770115 |
78 | NB8 | 0.402985 | 0.758242 |
79 | 9K8 | 0.402985 | 0.789474 |
80 | AT4 | 0.401639 | 0.804598 |
81 | ADP BEF | 0.401639 | 0.767442 |
82 | AN2 | 0.401639 | 0.781609 |
83 | ADP MG | 0.401639 | 0.767442 |
84 | 8LE | 0.401575 | 0.755556 |
85 | 5AL | 0.401575 | 0.781609 |
86 | AHX | 0.401515 | 0.758242 |
87 | ADV | 0.4 | 0.744444 |
88 | ATP MG | 0.4 | 0.767442 |
89 | 8LQ | 0.4 | 0.764045 |
90 | RBY | 0.4 | 0.744444 |
91 | ADP PO3 | 0.4 | 0.767442 |
92 | AGS | 0.4 | 0.816092 |