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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 8 families. | |||||
1 | 4P5D | Ki = 1.5 uM | N6P | C20 H19 N4 O7 P | c1ccc2cc(c.... |
2 | 4KXM | Kd = 2.6 uM | 6IA | C15 H24 N5 O7 P | CC(C)CCNc1.... |
3 | 4KXL | Kd = 0.6 uM | 6C6 | C15 H22 N5 O7 P | c1nc(c2c(n.... |
4 | 4KXN | Kd = 0.8 uM | 6K6 | C15 H18 N5 O8 P | c1cc(oc1)C.... |
5 | 4P5E | Ki = 2.8 uM | N6P | C20 H19 N4 O7 P | c1ccc2cc(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 6 families. | |||||
1 | 4P5D | Ki = 1.5 uM | N6P | C20 H19 N4 O7 P | c1ccc2cc(c.... |
2 | 4KXM | Kd = 2.6 uM | 6IA | C15 H24 N5 O7 P | CC(C)CCNc1.... |
3 | 4KXL | Kd = 0.6 uM | 6C6 | C15 H22 N5 O7 P | c1nc(c2c(n.... |
4 | 4KXN | Kd = 0.8 uM | 6K6 | C15 H18 N5 O8 P | c1cc(oc1)C.... |
5 | 4P5E | Ki = 2.8 uM | N6P | C20 H19 N4 O7 P | c1ccc2cc(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | N6P | 1 | 1 |
2 | K2R | 0.63 | 0.929577 |
3 | A | 0.527473 | 0.942029 |
4 | AMP | 0.527473 | 0.942029 |
5 | IMO | 0.526882 | 0.955882 |
6 | 6MZ | 0.505263 | 0.928571 |
7 | ITT | 0.5 | 0.942029 |
8 | ATP | 0.48 | 0.915493 |
9 | HEJ | 0.48 | 0.915493 |
10 | ADP | 0.479592 | 0.915493 |
11 | ERJ | 0.478723 | 0.8 |
12 | 6K6 | 0.476636 | 0.928571 |
13 | AQP | 0.475248 | 0.915493 |
14 | 5FA | 0.475248 | 0.915493 |
15 | PGS | 0.47 | 0.855263 |
16 | 71V | 0.469388 | 0.855263 |
17 | 2SA | 0.466667 | 0.878378 |
18 | 6C6 | 0.466019 | 0.878378 |
19 | AP5 | 0.464646 | 0.915493 |
20 | B4P | 0.464646 | 0.915493 |
21 | A2D | 0.463918 | 0.915493 |
22 | 25A | 0.462963 | 0.942857 |
23 | 6IA | 0.461538 | 0.833333 |
24 | AT4 | 0.46 | 0.878378 |
25 | BA3 | 0.454545 | 0.915493 |
26 | KG4 | 0.45098 | 0.864865 |
27 | ABM | 0.44898 | 0.888889 |
28 | 45A | 0.44898 | 0.888889 |
29 | 6YZ | 0.448598 | 0.890411 |
30 | T99 | 0.447619 | 0.878378 |
31 | TAT | 0.447619 | 0.878378 |
32 | ACQ | 0.447619 | 0.890411 |
33 | APC | 0.446602 | 0.878378 |
34 | AN2 | 0.445545 | 0.902778 |
35 | AMP MG | 0.443299 | 0.9 |
36 | M33 | 0.441176 | 0.876712 |
37 | ADX | 0.441176 | 0.8 |
38 | CA0 | 0.441176 | 0.864865 |
39 | AP2 | 0.44 | 0.878378 |
40 | A12 | 0.44 | 0.878378 |
41 | 3UK | 0.4375 | 0.890411 |
42 | 50T | 0.436893 | 0.902778 |
43 | ACP | 0.436893 | 0.890411 |
44 | OOB | 0.436364 | 0.902778 |
45 | RMB | 0.434343 | 0.925373 |
46 | ANP | 0.433962 | 0.890411 |
47 | B5V | 0.433628 | 0.878378 |
48 | 1RB | 0.43299 | 0.939394 |
49 | PRX | 0.432692 | 0.864865 |
50 | APR | 0.432692 | 0.888889 |
51 | AR6 | 0.432692 | 0.888889 |
52 | NO7 | 0.431193 | 0.878378 |
53 | HQG | 0.431193 | 0.902778 |
54 | 8LE | 0.429907 | 0.842105 |
55 | 5AL | 0.429907 | 0.876712 |
56 | AD9 | 0.428571 | 0.890411 |
57 | DLL | 0.428571 | 0.902778 |
58 | SRA | 0.428571 | 0.890411 |
59 | AGS | 0.428571 | 0.866667 |
60 | A22 | 0.427273 | 0.929577 |
61 | AU1 | 0.427184 | 0.890411 |
62 | 25L | 0.426087 | 0.929577 |
63 | ATF | 0.425926 | 0.878378 |
64 | 8LH | 0.422018 | 0.853333 |
65 | ADQ | 0.419643 | 0.890411 |
66 | RGT | 0.418803 | 0.878378 |
67 | B5M | 0.418803 | 0.866667 |
68 | ADP BEF | 0.417476 | 0.887324 |
69 | ADP MG | 0.417476 | 0.887324 |
70 | FYA | 0.417391 | 0.902778 |
71 | ARU | 0.415929 | 0.833333 |
72 | RBY | 0.415094 | 0.853333 |
73 | ADV | 0.415094 | 0.853333 |
74 | 8LQ | 0.414414 | 0.853333 |
75 | BEF ADP | 0.411215 | 0.863014 |
76 | HFD | 0.411215 | 0.866667 |
77 | JSQ | 0.411215 | 0.866667 |
78 | 8QN | 0.410714 | 0.876712 |
79 | 7RP | 0.41 | 0.984848 |
80 | SRP | 0.409091 | 0.853333 |
81 | PR8 | 0.408696 | 0.8 |
82 | AIR | 0.408602 | 0.871429 |
83 | V3L | 0.407407 | 0.915493 |
84 | PAJ | 0.40708 | 0.810127 |
85 | A1R | 0.40708 | 0.831169 |
86 | FA5 | 0.40678 | 0.878378 |
87 | PTJ | 0.405172 | 0.844156 |
88 | 6AD | 0.40367 | 0.833333 |
89 | V2G | 0.40367 | 0.844156 |
90 | 00A | 0.403509 | 0.855263 |
91 | 6V0 | 0.403226 | 0.844156 |
92 | AMZ | 0.402062 | 0.835616 |
93 | C2R | 0.402062 | 0.824324 |
94 | ADP PO3 | 0.401869 | 0.887324 |
95 | APC MG | 0.401869 | 0.863014 |
96 | ATP MG | 0.401869 | 0.887324 |
97 | MAP | 0.401786 | 0.866667 |
98 | QA7 | 0.401786 | 0.842105 |
99 | 4UV | 0.4 | 0.866667 |
100 | 5GP | 0.4 | 0.853333 |
101 | RBZ | 0.4 | 0.898551 |
102 | G | 0.4 | 0.853333 |
103 | VO4 ADP | 0.4 | 0.890411 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4kxl.bio2) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4kxl.bio2) has 49 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4kxl.bio1) has 52 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4kxl.bio1) has 52 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |